Datasets:
n0w0f
/
nomad-structure-csv

Dataset card Data Studio Files
xet
Community
1
cif
stringlengths
674
4.09k
formula
stringlengths
1
20
spacegroup
stringlengths
2
10
spacegroup_number
int64
1
230
crystal_system
stringclasses
7 values
pointgroup
stringlengths
1
5
density
float64
91.6
41.4k
is_longer_than_allowed
bool
2 classes
[CIF] data_NaTiNbMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64656465 _cell_length_b 4.64656465 _cell_length_c 4.64656465 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTiNbMo _chemical_formula_sum 'Na1 Ti1 Nb1 Mo1' _cell_volume 70.93832883 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 1.64280868 1.64280868 1.64280868 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 3.28561737 3.28561737 3.28561737 1 Ti Ti3 1 4.92842606 4.92842606 4.92842606 1 [/CIF]
MoNaNbTi
F-43m
216
cubic
-43m
6,079.653172
false
[CIF] data_ScMnBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.52660075 _cell_length_b 4.49200224 _cell_length_c 5.90827526 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.16551007 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScMnBr2 _chemical_formula_sum 'Sc1 Mn1 Br2' _cell_volume 93.52909127 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.82644392 2.24600112 1.45002058 1 Br Br1 1 2.47690506 2.24600112 4.45403524 1 Mn Mn2 1 1.65167449 0.00000000 2.95202791 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br2MnSc
P2/m
10
monoclinic
2/m
4,610.81402
false
[CIF] data_ZrAlAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63854737 _cell_length_b 4.63854737 _cell_length_c 5.65512619 _cell_angle_alpha 100.79089884 _cell_angle_beta 100.79089884 _cell_angle_gamma 39.78138040 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAlAu2 _chemical_formula_sum 'Zr1 Al1 Au2' _cell_volume 76.29706305 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Au Au1 1 1.38011661 0.00000000 4.27873290 1 Au Au2 1 6.21758531 -0.00000000 1.26316946 1 Zr Zr3 1 3.79885096 0.00000000 2.77095118 1 [/CIF]
AlAu2Zr
C2/m
12
monoclinic
2/m
11,146.251847
false
[CIF] data_CoBiPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93762000 _cell_length_b 4.93762000 _cell_length_c 6.93111305 _cell_angle_alpha 109.21246323 _cell_angle_beta 109.21246323 _cell_angle_gamma 41.36109037 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoBiPb2 _chemical_formula_sum 'Co1 Bi1 Pb2' _cell_volume 104.52776347 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 3.10828623 0.00000000 2.43332605 1 Co Co1 1 5.74173501 -0.00000000 2.45097281 1 Pb Pb2 1 0.66148918 0.00000000 0.22267193 1 Pb Pb3 1 0.68997933 -0.00000000 4.62534149 1 [/CIF]
BiCoPb2
Cm
8
monoclinic
m
10,839.305679
false
[CIF] data_CaCdNiAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80381336 _cell_length_b 4.80381336 _cell_length_c 4.80381336 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCdNiAu _chemical_formula_sum 'Ca1 Cd1 Ni1 Au1' _cell_volume 78.38687990 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 5.09521350 5.09521350 5.09521350 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Cd Cd2 1 3.39680900 3.39680900 3.39680900 1 Ni Ni3 1 1.69840450 1.69840450 1.69840450 1 [/CIF]
AuCaCdNi
F-43m
216
cubic
-43m
8,646.182995
false
[CIF] data_HfAgMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80529257 _cell_length_b 2.80529257 _cell_length_c 9.39000148 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.90647489 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfAgMo2 _chemical_formula_sum 'Hf1 Ag1 Mo2' _cell_volume 70.31662326 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 0.00000000 0.00000000 4.69500074 1 Mo Mo2 1 1.65076135 0.00000000 7.03244414 1 Mo Mo3 1 1.65076135 0.00000000 2.35755734 1 [/CIF]
AgHfMo2
Cmmm
65
orthorhombic
mmm
11,294.621371
false
[CIF] data_GaAg4As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.52789895 _cell_length_b 5.52789895 _cell_length_c 5.52789895 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaAg4As _chemical_formula_sum 'Ga1 Ag4 As1' _cell_volume 119.44426096 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 4.88683811 4.88683811 2.93079155 1 Ag Ag1 1 4.88683811 2.93079155 4.88683811 1 Ag Ag2 1 2.93079155 4.88683811 4.88683811 1 Ag Ag3 1 2.93079155 2.93079155 2.93079155 1 As As4 1 5.86322225 5.86322225 5.86322225 1 Ga Ga5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag4AsGa
F-43m
216
cubic
-43m
8,009.30444
false
[CIF] data_Sr2TaOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32143857 _cell_length_b 4.32143857 _cell_length_c 9.12095710 _cell_angle_alpha 102.63210874 _cell_angle_beta 102.63210874 _cell_angle_gamma 59.75058246 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2TaOs _chemical_formula_sum 'Sr2 Ta1 Os1' _cell_volume 142.38350861 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 5.06417724 -0.00000000 3.22863548 1 Sr Sr1 1 0.07555628 -0.00000000 0.94563887 1 Sr Sr2 1 0.08301273 -0.00000000 5.69826965 1 Ta Ta3 1 2.56823282 -0.00000000 3.36662228 1 [/CIF]
OsSr2Ta
Cm
8
monoclinic
m
6,372.565512
false
[CIF] data_SrZrVW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89241621 _cell_length_b 4.89241621 _cell_length_c 4.89241621 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZrVW _chemical_formula_sum 'Sr1 Zr1 V1 W1' _cell_volume 82.80473890 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sr Sr0 1 3.45946068 3.45946068 3.45946068 1 V V1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 5.18919102 5.18919102 5.18919102 1 Zr Zr3 1 1.72973034 1.72973034 1.72973034 1 [/CIF]
SrVWZr
F-43m
216
cubic
-43m
8,294.710071
false
[CIF] data_PdRhAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75036697 _cell_length_b 4.55119223 _cell_length_c 5.37278950 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.04157452 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PdRhAu2 _chemical_formula_sum 'Pd1 Rh1 Au2' _cell_volume 66.22339228 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 1.81136872 2.27559611 1.32035568 1 Au Au1 1 0.00218405 2.27559611 3.97013070 1 Pd Pd2 1 0.90677639 0.00000000 2.64524319 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2PdRh
P2/m
10
monoclinic
2/m
15,126.596527
false
[CIF] data_NaYIrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68323434 _cell_length_b 4.68323434 _cell_length_c 4.68323434 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaYIrRu _chemical_formula_sum 'Na1 Y1 Ir1 Ru1' _cell_volume 72.63110827 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 4.96732014 4.96732014 4.96732014 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 3.31154676 3.31154676 3.31154676 1 Y Y3 1 1.65577338 1.65577338 1.65577338 1 [/CIF]
IrNaRuY
F-43m
216
cubic
-43m
9,263.545394
false
[CIF] data_Ga5CoP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88529992 _cell_length_b 3.88529992 _cell_length_c 7.66283512 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga5CoP _chemical_formula_sum 'Ga5 Co1 P1' _cell_volume 115.67475260 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 3.83141756 1 Ga Ga1 1 1.94264996 1.94264996 0.00000000 1 Ga Ga2 1 0.00000000 1.94264996 2.35906778 1 Ga Ga3 1 1.94264996 0.00000000 2.35906778 1 Ga Ga4 1 0.00000000 1.94264996 5.30376734 1 Ga Ga5 1 1.94264996 0.00000000 5.30376734 1 P P6 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CoGa5P
P4/mmm
123
tetragonal
4/mmm
6,295.088814
false
[CIF] data_TeMo2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07885958 _cell_length_b 5.07885958 _cell_length_c 4.97943080 _cell_angle_alpha 102.34553058 _cell_angle_beta 102.34553058 _cell_angle_gamma 37.30024221 _symmetry_Int_Tables_number 1 _chemical_formula_structural TeMo2Au _chemical_formula_sum 'Te1 Mo2 Au1' _cell_volume 75.82808415 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 6.79858893 -0.00000000 1.05944519 1 Mo Mo1 1 8.30248751 -0.00000000 4.76913767 1 Mo Mo2 1 1.82166245 -0.00000000 3.79187966 1 Te Te3 1 4.32898174 0.00000000 2.50702846 1 [/CIF]
AuMo2Te
Cm
8
monoclinic
m
11,310.402139
false
[CIF] data_TlFeCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23711116 _cell_length_b 5.23711116 _cell_length_c 5.23711116 _cell_angle_alpha 145.16772560 _cell_angle_beta 145.16772560 _cell_angle_gamma 50.08464553 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlFeCo _chemical_formula_sum 'Tl1 Fe1 Co1' _cell_volume 46.63397769 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 -0.00000000 0.00000000 9.25492264 1 Fe Fe1 1 0.00000000 0.00000000 3.41018466 1 Tl Tl2 1 -0.00000000 0.00000000 6.31408642 1 [/CIF]
CoFeTl
I4mm
107
tetragonal
4mm
11,364.677801
false
[CIF] data_NiGeB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87289278 _cell_length_b 3.87289278 _cell_length_c 3.87289278 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiGeB2 _chemical_formula_sum 'Ni1 Ge1 B2' _cell_volume 41.07631019 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 4.10782313 4.10782313 4.10782313 1 B B1 1 1.36927438 1.36927438 1.36927438 1 Ge Ge2 1 2.73854875 2.73854875 2.73854875 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2GeNi
Fm-3m
225
cubic
m-3m
6,183.330878
false
[CIF] data_CaZrNbCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79322306 _cell_length_b 4.79322306 _cell_length_c 4.79322306 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaZrNbCr _chemical_formula_sum 'Ca1 Zr1 Nb1 Cr1' _cell_volume 77.86959617 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Cr Cr1 1 3.38932053 3.38932053 3.38932053 1 Nb Nb2 1 1.69466027 1.69466027 1.69466026 1 Zr Zr3 1 5.08398080 5.08398080 5.08398080 1 [/CIF]
CaCrNbZr
F-43m
216
cubic
-43m
5,889.953871
false
[CIF] data_Ca2ScRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09432016 _cell_length_b 5.09432016 _cell_length_c 5.09432016 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2ScRh _chemical_formula_sum 'Ca2 Sc1 Rh1' _cell_volume 93.48538222 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 1.80111417 1.80111417 1.80111416 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 5.40334250 5.40334250 5.40334250 1 Sc Sc3 1 3.60222833 3.60222833 3.60222833 1 [/CIF]
Ca2RhSc
F-43m
216
cubic
-43m
4,050.171391
false
[CIF] data_Li2HfSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07425436 _cell_length_b 5.07425436 _cell_length_c 5.57571489 _cell_angle_alpha 115.24433686 _cell_angle_beta 115.24433686 _cell_angle_gamma 37.89942846 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2HfSe _chemical_formula_sum 'Li2 Hf1 Se1' _cell_volume 78.71359130 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 6.74436954 -0.00000000 1.79854841 1 Li Li1 1 6.95231357 -0.00000000 4.92824277 1 Li Li2 1 -0.05711666 -0.00000000 3.86304308 1 Se Se3 1 4.07121715 0.00000000 1.85189596 1 [/CIF]
HfLi2Se
Cm
8
monoclinic
m
5,724.010029
false
[CIF] data_MnHg2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06719360 _cell_length_b 4.06719360 _cell_length_c 4.14262762 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnHg2B _chemical_formula_sum 'Mn1 Hg2 B1' _cell_volume 68.52761031 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 0.00000000 2.03359680 2.07131381 1 Hg Hg2 1 2.03359680 0.00000000 2.07131381 1 Mn Mn3 1 2.03359680 2.03359680 0.00000000 1 [/CIF]
BHg2Mn
P4/mmm
123
tetragonal
4/mmm
11,314.474809
false
[CIF] data_CaHf4Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.01258257 _cell_length_b 6.01258257 _cell_length_c 6.01258257 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHf4Pb _chemical_formula_sum 'Ca1 Hf4 Pb1' _cell_volume 153.69798132 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 5.33326336 5.33326336 3.16981246 1 Hf Hf2 1 5.33326336 3.16981246 5.33326336 1 Hf Hf3 1 3.16981246 5.33326336 5.33326336 1 Hf Hf4 1 3.16981246 3.16981246 3.16981246 1 Pb Pb5 1 6.37730687 6.37730687 6.37730686 1 [/CIF]
CaHf4Pb
F-43m
216
cubic
-43m
10,385.128273
false
[CIF] data_GaReSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30137453 _cell_length_b 3.30137453 _cell_length_c 7.87879412 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaReSb2 _chemical_formula_sum 'Ga1 Re1 Sb2' _cell_volume 85.87155847 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 4.35902660 1 Re Re1 1 1.65068726 1.65068726 5.54781498 1 Sb Sb2 1 0.00000000 0.00000000 7.27277138 1 Sb Sb3 1 1.65068726 1.65068726 2.51737234 1 [/CIF]
GaReSb2
P4mm
99
tetragonal
4mm
9,658.101607
false
[CIF] data_TaCu2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10801984 _cell_length_b 3.10801984 _cell_length_c 5.87805127 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCu2Ir _chemical_formula_sum 'Ta1 Cu2 Ir1' _cell_volume 56.78072516 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 1.55400992 1.55400992 1.57700762 1 Cu Cu1 1 1.55400992 1.55400992 4.30104365 1 Ir Ir2 1 0.00000000 0.00000000 2.93902564 1 Ta Ta3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cu2IrTa
P4/mmm
123
tetragonal
4/mmm
14,629.895801
false
[CIF] data_Mg2ZrNb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.50721560 _cell_length_b 7.50721560 _cell_length_c 7.50721560 _cell_angle_alpha 150.21809259 _cell_angle_beta 150.21809259 _cell_angle_gamma 42.62136090 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2ZrNb2 _chemical_formula_sum 'Mg2 Zr1 Nb2' _cell_volume 104.12055022 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 0.00000000 8.34069502 1 Mg Mg1 1 0.00000000 -0.00000000 5.64710190 1 Nb Nb2 1 0.00000000 1.92920585 3.49694923 1 Nb Nb3 1 1.92920585 0.00000000 3.49694923 1 Zr Zr4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mg2Nb2Zr
I4/mmm
139
tetragonal
4/mmm
5,193.491254
false
[CIF] data_NaCoRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12059526 _cell_length_b 4.12059526 _cell_length_c 4.12059526 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCoRu _chemical_formula_sum 'Na1 Co1 Ru1' _cell_volume 49.47261625 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 2.91370085 2.91370085 2.91370085 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 4.37055128 4.37055128 4.37055128 1 [/CIF]
CoNaRu
F-43m
216
cubic
-43m
6,142.124455
false
[CIF] data_BaTaTiBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27796852 _cell_length_b 5.27796852 _cell_length_c 5.27796852 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTaTiBi _chemical_formula_sum 'Ba1 Ta1 Ti1 Bi1' _cell_volume 103.96457641 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 5.59813099 5.59813099 5.59813099 1 Bi Bi1 1 3.73208733 3.73208733 3.73208733 1 Ta Ta2 1 1.86604367 1.86604367 1.86604367 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaBiTaTi
F-43m
216
cubic
-43m
9,185.946281
false
[CIF] data_ScBiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59408694 _cell_length_b 4.59408694 _cell_length_c 4.59408694 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScBiIr _chemical_formula_sum 'Sc1 Bi1 Ir1' _cell_volume 68.56186643 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 1.62425502 1.62425502 1.62425502 1 Ir Ir1 1 3.24851003 3.24851003 3.24851003 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiIrSc
F-43m
216
cubic
-43m
10,805.642302
false
[CIF] data_Ga2ReGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93605759 _cell_length_b 4.93605759 _cell_length_c 4.93605759 _cell_angle_alpha 133.59158485 _cell_angle_beta 133.59158485 _cell_angle_gamma 67.72661434 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2ReGe _chemical_formula_sum 'Ga2 Re1 Ge1' _cell_volume 62.01333817 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 1.94485312 2.04937535 1 Ga Ga1 1 1.94485312 -0.00000000 2.04937535 1 Ge Ge2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 0.00000000 0.00000000 4.09875069 1 [/CIF]
Ga2GeRe
I4/mmm
139
tetragonal
4/mmm
10,665.142467
false
[CIF] data_KZrBiW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07812750 _cell_length_b 5.07812750 _cell_length_c 5.07812750 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZrBiW _chemical_formula_sum 'K1 Zr1 Bi1 W1' _cell_volume 92.59676286 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 1.79538919 1.79538919 1.79538920 1 K K1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 3.59077839 3.59077839 3.59077839 1 Zr Zr3 1 5.38616758 5.38616758 5.38616758 1 [/CIF]
BiKWZr
F-43m
216
cubic
-43m
9,381.525487
false
[CIF] data_ZnCu2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62583669 _cell_length_b 3.62583669 _cell_length_c 5.19009323 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCu2Te _chemical_formula_sum 'Zn1 Cu2 Te1' _cell_volume 68.23255560 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 1.81291835 1.81291835 5.11321721 1 Cu Cu1 1 0.00000000 0.00000000 1.30497036 1 Te Te2 1 1.81291835 1.81291835 2.48783777 1 Zn Zn3 1 0.00000000 0.00000000 4.06920769 1 [/CIF]
Cu2TeZn
P4mm
99
tetragonal
4mm
7,789.420394
false
[CIF] data_Re2PdCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71566533 _cell_length_b 4.71566533 _cell_length_c 4.99572512 _cell_angle_alpha 99.73162503 _cell_angle_beta 99.73162503 _cell_angle_gamma 34.43775015 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2PdCl _chemical_formula_sum 'Re2 Pd1 Cl1' _cell_volume 61.83240121 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 0.00000000 1 Pd Pd1 1 4.06227960 -0.00000000 2.45843924 1 Re Re2 1 6.53408602 0.00000000 1.28637828 1 Re Re3 1 1.59047319 -0.00000000 3.63050019 1 [/CIF]
ClPdRe2
C2/m
12
monoclinic
2/m
13,811.426344
false
[CIF] data_TlTeF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75335411 _cell_length_b 4.75335411 _cell_length_c 4.75335411 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlTeF3 _chemical_formula_sum 'Tl1 Te1 F3' _cell_volume 107.39906667 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy F F0 1 2.37667706 0.00000000 0.00000000 1 F F1 1 0.00000000 2.37667706 0.00000000 1 F F2 1 0.00000000 0.00000000 2.37667706 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 Tl Tl4 1 2.37667706 2.37667706 2.37667706 1 [/CIF]
F3TeTl
Pm-3m
221
cubic
m-3m
6,014.149203
false
[CIF] data_UCd2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11282185 _cell_length_b 5.11282185 _cell_length_c 5.11282185 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural UCd2Sb _chemical_formula_sum 'U1 Cd2 Sb1' _cell_volume 94.50765416 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 1.80765550 1.80765550 1.80765550 1 Cd Cd1 1 5.42296650 5.42296650 5.42296650 1 Sb Sb2 1 -0.00000000 0.00000000 0.00000000 1 U U3 1 3.61531100 3.61531100 3.61531100 1 [/CIF]
Cd2SbU
Fm-3m
225
cubic
m-3m
10,271.858544
false
[CIF] data_CaTa2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66593388 _cell_length_b 5.66593388 _cell_length_c 5.34242415 _cell_angle_alpha 101.54867783 _cell_angle_beta 101.54867783 _cell_angle_gamma 31.07359190 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTa2Sn _chemical_formula_sum 'Ca1 Ta2 Sn1' _cell_volume 86.58910861 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Sn Sn1 1 4.90383252 -0.00000000 2.61290679 1 Ta Ta2 1 1.72104284 0.00000000 3.82907057 1 Ta Ta3 1 8.08662221 0.00000000 1.39674302 1 [/CIF]
CaSnTa2
C2/m
12
monoclinic
2/m
9,985.271112
false
[CIF] data_AgSbCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85971026 _cell_length_b 4.85971026 _cell_length_c 3.30733718 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgSbCl _chemical_formula_sum 'Ag1 Sb1 Cl1' _cell_volume 67.64409002 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 -0.00000002 2.80575504 0.04596316 1 Cl Cl1 1 0.00000000 0.00000000 0.90955454 1 Sb Sb2 1 2.42985511 1.40287753 2.35181949 1 [/CIF]
AgClSb
P3m1
156
trigonal
3m
6,507.260106
false
[CIF] data_Mg2Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.31878384 _cell_length_b 13.31878384 _cell_length_c 13.31878384 _cell_angle_alpha 161.63460883 _cell_angle_beta 161.63460883 _cell_angle_gamma 26.08626598 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2Zn _chemical_formula_sum 'Mg8 Zn4' _cell_volume 234.46365363 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 2.12545210 0.00000000 12.95078465 1 Mg Mg1 1 2.12545210 0.00000000 0.02438046 1 Mg Mg2 1 -0.00000000 0.00000000 19.43836720 1 Mg Mg3 1 -0.00000000 0.00000000 6.51196302 1 Mg Mg4 1 2.12545210 -0.00000000 8.71228931 1 Mg Mg5 1 2.12545210 0.00000000 4.26287580 1 Mg Mg6 1 0.00000000 -0.00000000 15.19987187 1 Mg Mg7 1 0.00000000 -0.00000000 10.75045835 1 Zn Zn8 1 -0.00000000 2.12545210 4.29904952 1 Zn Zn9 1 -0.00000000 2.12545210 8.67611559 1 Zn Zn10 1 0.00000000 0.00000000 23.76179718 1 Zn Zn11 1 0.00000000 0.00000000 2.18853304 1 [/CIF]
Mg8Zn4
I4_1/amd
141
tetragonal
4/mmm
3,229.239932
false
[CIF] data_KYBeBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46474954 _cell_length_b 5.46474954 _cell_length_c 5.46474954 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KYBeBi _chemical_formula_sum 'K1 Y1 Be1 Bi1' _cell_volume 115.39733776 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Bi Bi1 1 5.79624219 5.79624219 5.79624219 1 K K2 1 1.93208073 1.93208073 1.93208073 1 Y Y3 1 3.86416146 3.86416146 3.86416146 1 [/CIF]
BeBiKY
F-43m
216
cubic
-43m
4,978.807151
false
[CIF] data_NaTa3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82602314 _cell_length_b 6.11825800 _cell_length_c 5.23962817 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTa3 _chemical_formula_sum 'Na2 Ta6' _cell_volume 154.70973958 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 3.42276997 1 Na Na1 1 2.41301157 3.05912900 1.81685820 1 Ta Ta2 1 2.41301157 0.00000000 1.51868197 1 Ta Ta3 1 0.00000000 3.05912900 3.72094620 1 Ta Ta4 1 0.00000000 1.52449687 0.83529419 1 Ta Ta5 1 0.00000000 4.59376113 0.83529419 1 Ta Ta6 1 2.41301157 4.58362587 4.40433398 1 Ta Ta7 1 2.41301157 1.53463213 4.40433398 1 [/CIF]
Na2Ta6
Pmmn
59
orthorhombic
mmm
12,146.468398
false
[CIF] data_SnIrI3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41195194 _cell_length_b 5.41195194 _cell_length_c 5.41195194 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnIrI3 _chemical_formula_sum 'Sn1 Ir1 I3' _cell_volume 158.51187157 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy I I0 1 2.70597597 0.00000000 2.70597597 1 I I1 1 2.70597597 2.70597597 0.00000000 1 I I2 1 0.00000000 2.70597597 2.70597597 1 Ir Ir3 1 2.70597597 2.70597597 2.70597597 1 Sn Sn4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
I3IrSn
Pm-3m
221
cubic
m-3m
7,245.488363
false
[CIF] data_Ta2MnRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41721449 _cell_length_b 4.41721449 _cell_length_c 4.41721449 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2MnRu _chemical_formula_sum 'Ta2 Mn1 Ru1' _cell_volume 60.94393142 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 0.00000000 0.00000000 0.00000000 1 Ru Ru1 1 3.12344232 3.12344232 3.12344232 1 Ta Ta2 1 1.56172116 1.56172116 1.56172116 1 Ta Ta3 1 4.68516348 4.68516348 4.68516348 1 [/CIF]
MnRuTa2
Fm-3m
225
cubic
m-3m
14,111.322995
false
[CIF] data_NaZrCdSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08897067 _cell_length_b 5.08897067 _cell_length_c 5.08897067 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZrCdSn _chemical_formula_sum 'Na1 Zr1 Cd1 Sn1' _cell_volume 93.19118748 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 1.79922283 1.79922283 1.79922283 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 3.59844567 3.59844567 3.59844567 1 Zr Zr3 1 5.39766851 5.39766851 5.39766850 1 [/CIF]
CdNaSnZr
F-43m
216
cubic
-43m
6,153.391656
false
[CIF] data_TlZn2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09007765 _cell_length_b 5.09007765 _cell_length_c 5.09007765 _cell_angle_alpha 134.35196557 _cell_angle_beta 134.35196557 _cell_angle_gamma 66.53878348 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlZn2Rh _chemical_formula_sum 'Tl1 Zn2 Rh1' _cell_volume 66.36448154 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rh Rh0 1 0.00000000 0.00000000 4.25581666 1 Tl Tl1 1 0.00000000 1.97445119 2.12790833 1 Zn Zn2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 1.97445119 -0.00000000 2.12790833 1 [/CIF]
RhTlZn2
I-4m2
119
tetragonal
-42m
10,960.639316
false
[CIF] data_KTlWAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09544443 _cell_length_b 5.09544443 _cell_length_c 5.09544443 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTlWAu _chemical_formula_sum 'K1 Tl1 W1 Au1' _cell_volume 93.54729007 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 1.80151166 1.80151166 1.80151166 1 K K1 1 0.00000000 -0.00000000 0.00000000 1 Tl Tl2 1 5.40453497 5.40453497 5.40453497 1 W W3 1 3.60302331 3.60302331 3.60302331 1 [/CIF]
AuKTlW
F-43m
216
cubic
-43m
11,081.613296
false
[CIF] data_Al2Cu2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.16633357 _cell_length_b 6.16633357 _cell_length_c 3.79063642 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2Cu2Si _chemical_formula_sum 'Al4 Cu4 Si2' _cell_volume 144.13390717 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.99369596 4.07686275 1.89531821 1 Al Al1 1 5.17263761 2.08947082 1.89531821 1 Al Al2 1 2.08947082 0.99369596 1.89531821 1 Al Al3 1 4.07686275 5.17263761 1.89531821 1 Cu Cu4 1 2.20986762 5.29303441 0.00000000 1 Cu Cu5 1 3.95646595 0.87329916 0.00000000 1 Cu Cu6 1 0.87329916 2.20986762 0.00000000 1 Cu Cu7 1 5.29303441 3.95646595 0.00000000 1 Si Si8 1 0.00000000 0.00000000 0.00000000 1 Si Si9 1 3.08316678 3.08316678 0.00000000 1 [/CIF]
Al4Cu4Si2
P4/mbm
127
tetragonal
4/mmm
4,818.936858
false
[CIF] data_SiRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93657061 _cell_length_b 2.93657061 _cell_length_c 3.61362790 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiRu _chemical_formula_sum 'Si1 Ru1' _cell_volume 26.98702168 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ru Ru0 1 -0.00000001 1.69542984 1.80681395 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
RuSi
P-6m2
187
hexagonal
-6m2
7,947.070129
false
[CIF] data_CrTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.50972243 _cell_length_b 3.50972243 _cell_length_c 3.50972243 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrTe _chemical_formula_sum 'Cr1 Te1' _cell_volume 43.23329274 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 0.00000000 1 Te Te1 1 1.75486122 1.75486122 1.75486122 1 [/CIF]
CrTe
Pm-3m
221
cubic
m-3m
6,898.071402
false
[CIF] data_LaZrAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07346286 _cell_length_b 4.07346286 _cell_length_c 5.82552086 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.79944113 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZrAs2 _chemical_formula_sum 'La1 Zr1 As2' _cell_volume 96.61578048 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 0.00000000 1 As As1 1 2.83478920 0.00000000 2.91276043 1 La La2 1 0.00000000 0.00000000 2.91276043 1 Zr Zr3 1 2.83478920 0.00000000 0.00000000 1 [/CIF]
As2LaZr
Cmmm
65
orthorhombic
mmm
6,530.604624
false
[CIF] data_LiBe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.31175224 _cell_length_b 2.31175224 _cell_length_c 7.87937680 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiBe3 _chemical_formula_sum 'Li1 Be3' _cell_volume 36.46742314 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 -0.00000001 1.33469079 2.13483922 1 Be Be1 1 -0.00000001 1.33469079 5.74453758 1 Be Be2 1 0.00000000 0.00000000 3.93968840 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be3Li
P-6m2
187
hexagonal
-6m2
1,547.162857
false
[CIF] data_TiRe2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91999148 _cell_length_b 4.91999148 _cell_length_c 4.91999148 _cell_angle_alpha 134.09017348 _cell_angle_beta 134.09017348 _cell_angle_gamma 66.94719942 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiRe2Ir _chemical_formula_sum 'Ti1 Re2 Ir1' _cell_volume 60.44161273 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 0.00000000 0.00000000 4.10396194 1 Re Re1 1 -0.00000000 1.91882940 2.05198097 1 Re Re2 1 1.91882940 0.00000000 2.05198097 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrRe2Ti
I4/mmm
139
tetragonal
4/mmm
16,827.427516
false
[CIF] data_InCoRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74522373 _cell_length_b 4.74522373 _cell_length_c 4.74522373 _cell_angle_alpha 131.75649440 _cell_angle_beta 131.75649440 _cell_angle_gamma 70.61389046 _symmetry_Int_Tables_number 1 _chemical_formula_structural InCoRu2 _chemical_formula_sum 'In1 Co1 Ru2' _cell_volume 58.25276713 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 0.00000000 1 In In1 1 1.93926378 0.00000000 1.93621153 1 Ru Ru2 1 -0.00000000 0.00000000 3.87242305 1 Ru Ru3 1 0.00000000 1.93926378 1.93621153 1 [/CIF]
CoInRu2
I-4m2
119
tetragonal
-42m
10,715.062044
false
[CIF] data_BiB2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.89811517 _cell_length_b 5.89811517 _cell_length_c 5.89811517 _cell_angle_alpha 146.97189514 _cell_angle_beta 146.97189514 _cell_angle_gamma 47.40539784 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiB2P _chemical_formula_sum 'Bi1 B2 P1' _cell_volume 60.71957108 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 1.67654217 2.70028588 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Bi Bi2 1 1.67654217 0.00000000 2.70028588 1 P P3 1 0.00000000 0.00000000 5.40057175 1 [/CIF]
B2BiP
I-4m2
119
tetragonal
-42m
7,153.49974
false
[CIF] data_SbIr2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50205753 _cell_length_b 4.50205753 _cell_length_c 4.50205753 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbIr2Rh _chemical_formula_sum 'Sb1 Ir2 Rh1' _cell_volume 64.52353070 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 4.77515312 4.77515312 4.77515312 1 Ir Ir1 1 1.59171771 1.59171771 1.59171770 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 Sb Sb3 1 3.18343541 3.18343541 3.18343541 1 [/CIF]
Ir2RhSb
Fm-3m
225
cubic
m-3m
15,675.421108
false
[CIF] data_TePtO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02613410 _cell_length_b 4.02613410 _cell_length_c 4.02613410 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TePtO3 _chemical_formula_sum 'Te1 Pt1 O3' _cell_volume 65.26265054 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Te Te0 1 0.00000000 0.00000000 0.00000000 1 O O1 1 2.01306705 0.00000000 2.01306705 1 O O2 1 2.01306705 2.01306705 0.00000000 1 O O3 1 0.00000000 2.01306705 2.01306705 1 Pt Pt4 1 2.01306705 2.01306705 2.01306705 1 [/CIF]
O3PtTe
Pm-3m
221
cubic
m-3m
9,431.616235
false
[CIF] data_SrBiB3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82436648 _cell_length_b 4.82436648 _cell_length_c 4.82436648 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrBiB3 _chemical_formula_sum 'Sr1 Bi1 B3' _cell_volume 112.28477521 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sr Sr0 1 0.00000000 0.00000000 0.00000000 1 B B1 1 2.41218324 0.00000000 2.41218324 1 B B2 1 2.41218324 2.41218324 0.00000000 1 B B3 1 0.00000000 2.41218324 2.41218324 1 Bi Bi4 1 2.41218324 2.41218324 2.41218324 1 [/CIF]
B3BiSr
Pm-3m
221
cubic
m-3m
4,865.95635
false
[CIF] data_LiScBeTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53730765 _cell_length_b 4.53730765 _cell_length_c 4.53730765 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiScBeTl _chemical_formula_sum 'Li1 Sc1 Be1 Tl1' _cell_volume 66.05104383 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 3.20836101 3.20836101 3.20836101 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Sc Sc2 1 1.60418050 1.60418050 1.60418050 1 Tl Tl3 1 4.81254151 4.81254151 4.81254152 1 [/CIF]
BeLiScTl
F-43m
216
cubic
-43m
6,669.514345
false
[CIF] data_TlZnSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02358656 _cell_length_b 5.02358656 _cell_length_c 5.02358656 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlZnSb _chemical_formula_sum 'Tl1 Zn1 Sb1' _cell_volume 89.64512371 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sb Sb0 1 3.55221212 3.55221212 3.55221212 1 Tl Tl1 1 5.32831818 5.32831818 5.32831818 1 Zn Zn2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
SbTlZn
F-43m
216
cubic
-43m
7,252.371443
false
[CIF] data_TiHgSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59823241 _cell_length_b 5.59823241 _cell_length_c 5.59823241 _cell_angle_alpha 141.76100350 _cell_angle_beta 141.76100350 _cell_angle_gamma 55.18897090 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiHgSb _chemical_formula_sum 'Ti1 Hg1 Sb1' _cell_volume 66.72604079 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 -0.00000000 0.00000000 0.03282894 1 Sb Sb1 1 0.00000000 -0.00000000 3.07423595 1 Ti Ti2 1 0.00000000 -0.00000000 6.81578153 1 [/CIF]
HgSbTi
I4mm
107
tetragonal
4mm
9,213.191497
false
[CIF] data_SrTiIrPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95933048 _cell_length_b 4.95933048 _cell_length_c 4.95933048 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTiIrPb _chemical_formula_sum 'Sr1 Ti1 Ir1 Pb1' _cell_volume 86.24901631 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 3.50677621 3.50677621 3.50677621 1 Pb Pb1 1 1.75338810 1.75338810 1.75338810 1 Sr Sr2 1 5.26016432 5.26016432 5.26016432 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrPbSrTi
F-43m
216
cubic
-43m
10,298.424571
false
[CIF] data_MnCo2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18891581 _cell_length_b 3.18891581 _cell_length_c 5.67511410 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCo2Te _chemical_formula_sum 'Mn1 Co2 Te1' _cell_volume 57.71127964 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 1.59445790 1.59445790 4.34124902 1 Co Co1 1 1.59445790 1.59445790 1.33386508 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 0.00000000 0.00000000 2.83755705 1 [/CIF]
Co2MnTe
P4/mmm
123
tetragonal
4/mmm
8,643.913201
false
[CIF] data_Ta5Cd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.34611385 _cell_length_b 8.34611385 _cell_length_c 5.19634388 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta5Cd3 _chemical_formula_sum 'Ta10 Cd6' _cell_volume 313.47082359 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 -1.69201144 2.93064978 3.89725791 1 Cd Cd1 1 -2.48104549 4.29729684 1.29908597 1 Cd Cd2 1 3.38402288 0.00000000 3.89725791 1 Cd Cd3 1 1.69201144 2.93064978 1.29908597 1 Cd Cd4 1 4.96209098 0.00000000 1.29908597 1 Cd Cd5 1 2.48104549 4.29729684 3.89725791 1 Ta Ta6 1 -0.81773241 1.41635409 1.29908597 1 Ta Ta7 1 -3.35532451 5.81159253 3.89725791 1 Ta Ta8 1 1.63546483 0.00000000 1.29908597 1 Ta Ta9 1 0.81773241 1.41635409 3.89725791 1 Ta Ta10 1 -0.00000000 4.81863108 0.00000000 1 Ta Ta11 1 -0.00000000 4.81863108 2.59817194 1 Ta Ta12 1 4.17305693 2.40931554 0.00000000 1 Ta Ta13 1 4.17305693 2.40931554 2.59817194 1 Ta Ta14 1 6.71064903 0.00000000 3.89725791 1 Ta Ta15 1 3.35532451 5.81159253 1.29908597 1 [/CIF]
Cd6Ta10
P6_3/mcm
193
hexagonal
6/mmm
13,158.008086
false
[CIF] data_NbFe2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12492155 _cell_length_b 4.12492155 _cell_length_c 4.12492155 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbFe2Si _chemical_formula_sum 'Nb1 Fe2 Si1' _cell_volume 49.62860663 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 1.45838000 1.45838000 1.45838000 1 Fe Fe1 1 4.37514000 4.37514000 4.37514000 1 Nb Nb2 1 2.91676000 2.91676000 2.91676000 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Fe2NbSi
Fm-3m
225
cubic
m-3m
7,785.375775
false
[CIF] data_LaV2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15718259 _cell_length_b 3.15718259 _cell_length_c 8.66456599 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 115.42586401 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaV2Cl _chemical_formula_sum 'La1 V2 Cl1' _cell_volume 78.00133682 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 4.65041727 1 La La1 1 1.68644556 0.00000000 2.08782820 1 V V2 1 0.00000000 0.00000000 8.26572285 1 V V3 1 1.68644556 0.00000000 6.65744666 1 [/CIF]
ClLaV2
Cmm2
35
orthorhombic
mm2
5,880.793477
false
[CIF] data_YScPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84418997 _cell_length_b 4.84418997 _cell_length_c 4.84418997 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YScPd2 _chemical_formula_sum 'Y1 Sc1 Pd2' _cell_volume 80.38009250 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 1.71267979 1.71267979 1.71267979 1 Pd Pd1 1 5.13803937 5.13803937 5.13803937 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 3.42535958 3.42535958 3.42535958 1 [/CIF]
Pd2ScY
Fm-3m
225
cubic
m-3m
7,162.368223
false
[CIF] data_TeOs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18237712 _cell_length_b 5.18237712 _cell_length_c 5.18237712 _cell_angle_alpha 116.52965375 _cell_angle_beta 116.52965375 _cell_angle_gamma 116.52965375 _symmetry_Int_Tables_number 1 _chemical_formula_structural TeOs3 _chemical_formula_sum 'Te1 Os3' _cell_volume 65.76449737 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 -0.00000000 2.54470103 0.97725094 1 Os Os1 1 2.20377573 -1.27235051 0.97725094 1 Os Os2 1 -2.20377573 -1.27235051 0.97725094 1 Te Te3 1 -0.00000000 0.00000000 0.00000000 1 [/CIF]
Os3Te
R-3m
166
trigonal
-3m
17,631.66862
false
[CIF] data_TlSnIrW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76890941 _cell_length_b 4.76890941 _cell_length_c 4.76890941 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlSnIrW _chemical_formula_sum 'Tl1 Sn1 Ir1 W1' _cell_volume 76.69061476 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 3.37212818 3.37212818 3.37212818 1 Sn Sn1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 5.05819227 5.05819227 5.05819227 1 W W3 1 1.68606409 1.68606409 1.68606409 1 [/CIF]
IrSnTlW
F-43m
216
cubic
-43m
15,138.311124
false
[CIF] data_Au3C4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.42799230 _cell_length_b 6.42799230 _cell_length_c 2.65681500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Au3C4 _chemical_formula_sum 'Au3 C4' _cell_volume 95.06981354 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 1.60699808 2.78340231 1.32840750 1 Au Au1 1 3.21399615 0.00000000 1.32840750 1 Au Au2 1 -1.60699808 2.78340231 1.32840750 1 C C3 1 0.00000000 0.00000000 2.00287190 1 C C4 1 0.00000000 0.00000000 0.65394310 1 C C5 1 -0.00000000 3.71120309 0.00000000 1 C C6 1 3.21399615 1.85560154 0.00000000 1 [/CIF]
C4Au3
P6/mmm
191
hexagonal
6/mmm
11,160.10387
false
[CIF] data_SrTi2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19921297 _cell_length_b 3.19921297 _cell_length_c 8.51179814 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTi2Pt _chemical_formula_sum 'Sr1 Ti2 Pt1' _cell_volume 87.11794437 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 1.59960649 1.59960649 3.74874111 1 Sr Sr1 1 0.00000000 0.00000000 6.07200977 1 Ti Ti2 1 1.59960649 1.59960649 0.59785355 1 Ti Ti3 1 0.00000000 0.00000000 2.34909277 1 [/CIF]
PtSrTi2
P4mm
99
tetragonal
4mm
7,213.343463
false
[CIF] data_ScReMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15943198 _cell_length_b 3.15943198 _cell_length_c 6.70114066 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScReMo2 _chemical_formula_sum 'Sc1 Re1 Mo2' _cell_volume 66.89085600 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 1.57971599 1.57971599 1.81880450 1 Mo Mo1 1 1.57971599 1.57971599 4.88233616 1 Re Re2 1 0.00000000 0.00000000 3.35057033 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mo2ReSc
P4/mmm
123
tetragonal
4/mmm
10,502.866098
false
[CIF] data_Pu3Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62306087 _cell_length_b 4.62306087 _cell_length_c 4.62306087 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pu3Ni _chemical_formula_sum 'Pu3 Ni1' _cell_volume 69.86728011 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 0.00000000 0.00000000 1 Pu Pu1 1 1.63449884 1.63449884 1.63449884 1 Pu Pu2 1 3.26899769 3.26899769 3.26899769 1 Pu Pu3 1 4.90349654 4.90349654 4.90349654 1 [/CIF]
NiPu3
Fm-3m
225
cubic
m-3m
18,792.448746
false
[CIF] data_Mn2CrW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10115860 _cell_length_b 4.10115860 _cell_length_c 2.94927842 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2CrW _chemical_formula_sum 'Mn2 Cr1 W1' _cell_volume 49.60539377 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 0.00000000 1 Mn Mn1 1 0.00000000 2.05057930 1.47463921 1 Mn Mn2 1 2.05057930 0.00000000 1.47463921 1 W W3 1 2.05057930 2.05057930 0.00000000 1 [/CIF]
CrMn2W
P4/mmm
123
tetragonal
4/mmm
11,572.734048
false
[CIF] data_HfMn2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88181807 _cell_length_b 3.66874128 _cell_length_c 5.63762883 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.35949929 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMn2Pd _chemical_formula_sum 'Hf1 Mn2 Pd1' _cell_volume 58.97136912 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.95276967 1.83437064 4.26173502 1 Mn Mn1 1 0.14173049 0.00000000 0.25435870 1 Mn Mn2 1 1.02595421 1.83437064 1.10975858 1 Pd Pd3 1 2.41375271 0.00000000 2.74074412 1 [/CIF]
HfMn2Pd
Pm
6
monoclinic
m
11,116.542404
false
[CIF] data_Co3C5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68992306 _cell_length_b 3.68992306 _cell_length_c 5.99851219 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 104.60862017 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co3C5 _chemical_formula_sum 'Co3 C5' _cell_volume 79.03255091 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.00000000 0.00000000 0.00000000 1 C C1 1 1.12813405 1.45986185 0.00000000 1 C C2 1 1.12813405 -1.45986185 0.00000000 1 C C3 1 1.51212836 -0.00000000 2.99925609 1 C C4 1 3.00040784 -0.00000000 2.99925609 1 Co Co5 1 2.25626810 0.00000000 0.00000000 1 Co Co6 1 2.25626810 -1.75235311 2.99925609 1 Co Co7 1 2.25626810 1.75235311 2.99925609 1 [/CIF]
C5Co3
Cmmm
65
orthorhombic
mmm
4,976.47863
false
[CIF] data_Cd2FeTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.94481502 _cell_length_b 6.94481502 _cell_length_c 6.94481502 _cell_angle_alpha 154.37804232 _cell_angle_beta 140.91232154 _cell_angle_gamma 47.32422467 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2FeTe _chemical_formula_sum 'Cd2 Fe1 Te1' _cell_volume 91.02713781 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 -0.00000000 0.17538060 1 Cd Cd1 1 -0.00000000 2.32323517 2.14934959 1 Fe Fe2 1 -0.00000000 -0.00000000 6.21022462 1 Te Te3 1 1.53991098 0.00000000 4.18694871 1 [/CIF]
Cd2FeTe
Imm2
44
orthorhombic
mm2
7,447.70537
false
[CIF] data_ScB3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17312657 _cell_length_b 4.81025692 _cell_length_c 4.64693186 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScB3 _chemical_formula_sum 'Sc2 B6' _cell_volume 70.92869557 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.61872871 1 B B1 1 1.58656328 2.40512846 4.02820315 1 B B2 1 1.58656328 0.89845637 0.58477846 1 B B3 1 1.58656328 3.91180055 0.58477846 1 B B4 1 0.00000000 3.30358483 4.06215340 1 B B5 1 0.00000000 1.50667209 4.06215340 1 Sc Sc6 1 1.58656328 0.00000000 2.89995393 1 Sc Sc7 1 0.00000000 2.40512846 1.74697793 1 [/CIF]
B6Sc2
Pmmn
59
orthorhombic
mmm
3,623.563373
false
[CIF] data_KAgGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02894981 _cell_length_b 5.02894981 _cell_length_c 5.02894981 _cell_angle_alpha 121.97347894 _cell_angle_beta 121.97347894 _cell_angle_gamma 86.61452399 _symmetry_Int_Tables_number 1 _chemical_formula_structural KAgGe2 _chemical_formula_sum 'K1 Ag1 Ge2' _cell_volume 87.08449359 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 3.65949550 1 Ge Ge1 1 0.00000000 2.43910115 1.82974775 1 Ge Ge2 1 2.43910115 0.00000000 1.82974775 1 K K3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgGe2K
I4/mmm
139
tetragonal
4/mmm
5,572.596341
false
[CIF] data_VBiIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65834928 _cell_length_b 4.65834928 _cell_length_c 5.05028483 _cell_angle_alpha 101.05398069 _cell_angle_beta 101.05398069 _cell_angle_gamma 43.82720120 _symmetry_Int_Tables_number 1 _chemical_formula_structural VBiIr2 _chemical_formula_sum 'V1 Bi1 Ir2' _cell_volume 74.25272564 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 1.42711177 -0.00000000 3.75088996 1 Ir Ir1 1 0.04958476 -0.00000000 0.27279110 1 Ir Ir2 1 6.21578979 -0.00000000 1.48921438 1 V V3 1 3.70725012 -0.00000000 1.89899032 1 [/CIF]
BiIr2V
Cm
8
monoclinic
m
14,409.951089
false
[CIF] data_Tl2GaRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.25898216 _cell_length_b 7.25898216 _cell_length_c 7.25898216 _cell_angle_alpha 157.13254853 _cell_angle_beta 140.48033312 _cell_angle_gamma 46.14684193 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2GaRe _chemical_formula_sum 'Tl2 Ga1 Re1' _cell_volume 94.33496123 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 -0.00000000 0.00000000 7.60916098 1 Re Re1 1 -0.00000000 2.45410394 3.15770292 1 Tl Tl2 1 -0.00000000 -0.00000000 12.62024690 1 Tl Tl3 1 1.43897938 -0.00000000 3.32604227 1 [/CIF]
GaReTl2
Imm2
44
orthorhombic
mm2
11,700.435627
false
[CIF] data_K2TaAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.19368618 _cell_length_b 6.19368618 _cell_length_c 3.04798058 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 121.39539641 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2TaAu _chemical_formula_sum 'K2 Ta1 Au1' _cell_volume 99.80705938 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 3.03129832 0.00000000 0.00000000 1 K K1 1 1.51564916 -2.70060081 1.52399029 1 K K2 1 1.51564916 2.70060082 1.52399029 1 Ta Ta3 1 -0.00000000 0.00000000 0.00000000 1 [/CIF]
AuK2Ta
Cmmm
65
orthorhombic
mmm
7,588.543539
false
[CIF] data_Rb3Te(PO7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.57121400 _cell_length_b 7.03530900 _cell_length_c 12.54356749 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.39233453 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb3Te(PO7)2 _chemical_formula_sum 'Rb6 Te2 P4 O28' _cell_volume 756.16808204 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rb Rb0 1 0.00000000 0.00000000 0.00000000 1 Rb Rb1 1 -0.15239450 3.51765450 6.26993200 1 Rb Rb2 1 5.65458016 6.94408215 4.00407889 1 Rb Rb3 1 2.76423934 3.42642765 2.26585311 1 Rb Rb4 1 2.61184484 0.09122685 8.53578511 1 Rb Rb5 1 5.50218566 3.60888135 10.27401089 1 Te Te6 1 4.28560700 0.00000000 0.00000000 1 Te Te7 1 4.13321250 3.51765450 6.26993200 1 P P8 1 1.21090709 6.91110062 4.19785741 1 P P9 1 7.20791241 3.39344612 2.07207459 1 P P10 1 7.05551791 0.12420838 8.34200659 1 P P11 1 1.05851259 3.64186288 10.46778941 1 O O12 1 5.86260256 3.52989594 1.32543855 1 O O13 1 2.55621694 0.01224144 4.94449345 1 O O14 1 2.40382244 3.50541306 11.21442545 1 O O15 1 5.71020806 7.02306756 7.59537055 1 O O16 1 5.79247680 6.19140258 0.85872989 1 O O17 1 2.62634270 2.67374808 5.41120211 1 O O18 1 2.47394820 0.84390642 11.68113411 1 O O19 1 5.64008230 4.36156092 7.12866189 1 O O20 1 2.93265469 5.72564402 0.48396351 1 O O21 1 5.48616481 2.20798952 5.78596849 1 O O22 1 5.33377031 1.30966498 12.05590049 1 O O23 1 2.78026019 4.82731948 6.75389551 1 O O24 1 4.50909235 6.37930865 10.80960103 1 O O25 1 3.60493815 2.86165415 8.00019497 1 O O26 1 3.75733265 0.65600035 1.73026297 1 O O27 1 4.66148685 4.17365485 4.53966903 1 O O28 1 1.20627798 0.69430057 2.88005564 1 O O29 1 7.21254152 4.21195507 3.38987636 1 O O30 1 7.06014702 6.34100843 9.65980836 1 O O31 1 1.05388348 2.82335393 9.14998764 1 O O32 1 8.44190003 3.96659164 1.34569043 1 O O33 1 -0.02308053 0.44893714 4.92424157 1 O O34 1 -0.17547503 3.06871736 11.19417357 1 O O35 1 8.28950553 6.58637186 7.61562243 1 O O36 1 1.13381855 5.38550793 3.97529991 1 O O37 1 7.28500095 1.86785343 2.29463209 1 O O38 1 7.13260645 1.64980107 8.56456409 1 O O39 1 0.98142405 5.16745557 10.24523191 1 [/CIF]
O28P4Rb6Te2
P2_1/c
14
monoclinic
2/m
2,942.37686
false
[CIF] data_LaTiW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86478131 _cell_length_b 2.86478131 _cell_length_c 9.96404694 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.57156954 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTiW2 _chemical_formula_sum 'La1 Ti1 W2' _cell_volume 76.04707813 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 0.00000000 0.00000000 4.98202347 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 1.61083376 0.00000000 2.17571402 1 W W3 1 1.61083376 0.00000000 7.78833292 1 [/CIF]
LaTiW2
Cmmm
65
orthorhombic
mmm
12,106.842362
false
[CIF] data_ZnInGa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05179518 _cell_length_b 3.05179518 _cell_length_c 8.42696650 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnInGa2 _chemical_formula_sum 'Zn1 In1 Ga2' _cell_volume 78.48416335 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 1.52589759 1.52589759 1.83869069 1 Ga Ga1 1 1.52589759 1.52589759 6.58827581 1 In In2 1 0.00000000 0.00000000 4.21348325 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ga2InZn
P4/mmm
123
tetragonal
4/mmm
6,762.910207
false
[CIF] data_Dy2GeOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94649336 _cell_length_b 4.94649336 _cell_length_c 4.94649336 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Dy2GeOs _chemical_formula_sum 'Dy2 Ge1 Os1' _cell_volume 85.58098766 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Dy Dy0 1 1.74884950 1.74884950 1.74884950 1 Dy Dy1 1 5.24654850 5.24654850 5.24654850 1 Ge Ge2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 3.49769900 3.49769900 3.49769900 1 [/CIF]
Dy2GeOs
Fm-3m
225
cubic
m-3m
11,406.51829
false
[CIF] data_LaYBiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59334015 _cell_length_b 5.59334015 _cell_length_c 5.59334015 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaYBiPb _chemical_formula_sum 'La1 Y1 Bi1 Pb1' _cell_volume 123.73674732 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 1.97754438 1.97754438 1.97754438 1 La La1 1 5.93263313 5.93263313 5.93263313 1 Pb Pb2 1 3.95508875 3.95508875 3.95508875 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiLaPbY
F-43m
216
cubic
-43m
8,642.326817
false
[CIF] data_CaScCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58748888 _cell_length_b 5.23008366 _cell_length_c 5.28923048 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaScCd2 _chemical_formula_sum 'Ca1 Sc1 Cd2' _cell_volume 99.24112786 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.77048771 1 Cd Cd1 1 1.79374444 2.61504183 0.49682921 1 Cd Cd2 1 1.79374444 0.00000000 3.43600868 1 Sc Sc3 1 0.00000000 2.61504183 3.23052012 1 [/CIF]
CaCd2Sc
Pmm2
25
orthorhombic
mm2
5,184.67049
false
[CIF] data_HgGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.59899968 _cell_length_b 8.59899968 _cell_length_c 5.11619534 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 159.56783085 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgGe2 _chemical_formula_sum 'Hg2 Ge4' _cell_volume 132.06588253 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 1.52512740 -4.40225753 3.83714650 1 Ge Ge1 1 1.52512740 1.73567616 3.83714650 1 Ge Ge2 1 1.52512740 4.40225753 1.27904883 1 Ge Ge3 1 1.52512740 -1.73567616 1.27904883 1 Hg Hg4 1 1.52512740 7.22450005 3.83714650 1 Hg Hg5 1 1.52512740 -7.22450005 1.27904883 1 [/CIF]
Ge4Hg2
Cmcm
63
orthorhombic
mmm
8,697.638421
false
[CIF] data_GeTe2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16481706 _cell_length_b 3.16481706 _cell_length_c 10.10419553 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 114.80560500 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeTe2Mo _chemical_formula_sum 'Ge1 Te2 Mo1' _cell_volume 91.86683099 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 0.00000000 0.00000000 5.05209776 1 Te Te2 1 1.70498056 0.00000000 7.23259822 1 Te Te3 1 1.70498056 0.00000000 2.87159731 1 [/CIF]
GeMoTe2
Cmmm
65
orthorhombic
mmm
7,660.397652
false
[CIF] data_ZrMnFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.68291230 _cell_length_b 8.68291230 _cell_length_c 8.68291230 _cell_angle_alpha 18.31735014 _cell_angle_beta 18.31735014 _cell_angle_gamma 18.31735014 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrMnFe2 _chemical_formula_sum 'Zr1 Mn1 Fe2' _cell_volume 56.47325535 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 -0.00000000 -0.00000000 18.91329303 1 Fe Fe1 1 -0.00000000 0.00000000 6.69170420 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 0.00000000 0.00000000 12.80249861 1 [/CIF]
Fe2MnZr
R-3m
166
trigonal
-3m
7,581.879082
false
[CIF] data_Mg2ReAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59709045 _cell_length_b 4.59709045 _cell_length_c 4.59709045 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2ReAg _chemical_formula_sum 'Mg2 Re1 Ag1' _cell_volume 68.69642681 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 0.00000000 1 Mg Mg1 1 4.87595074 4.87595074 4.87595075 1 Mg Mg2 1 1.62531691 1.62531691 1.62531692 1 Re Re3 1 3.25063383 3.25063383 3.25063383 1 [/CIF]
AgMg2Re
Fm-3m
225
cubic
m-3m
8,283.431738
false
[CIF] data_Pt2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48329380 _cell_length_b 5.48329380 _cell_length_c 7.00207603 _cell_angle_alpha 107.34531949 _cell_angle_beta 107.34531949 _cell_angle_gamma 29.62551087 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pt2Au _chemical_formula_sum 'Pt4 Au2' _cell_volume 98.99809875 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 1.74001221 -0.00000000 6.46215761 1 Au Au1 1 6.70282777 -0.00000000 0.19866349 1 Pt Pt2 1 8.85419201 -0.00000000 4.58148809 1 Pt Pt3 1 -0.41135204 -0.00000000 2.07933300 1 Pt Pt4 1 2.44318137 -0.00000000 2.46602517 1 Pt Pt5 1 5.99965860 -0.00000000 4.19479592 1 [/CIF]
Au2Pt4
C2/m
12
monoclinic
2/m
19,696.53764
false
[CIF] data_NbCo2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71196945 _cell_length_b 4.71196945 _cell_length_c 4.71196945 _cell_angle_alpha 132.98934170 _cell_angle_beta 132.98934170 _cell_angle_gamma 68.67088652 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCo2Se _chemical_formula_sum 'Nb1 Co2 Se1' _cell_volume 54.96685271 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 1.87929534 0.00000000 1.94545330 1 Co Co1 1 0.00000000 1.87929534 1.94545330 1 Nb Nb2 1 0.00000000 -0.00000000 3.89090660 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co2NbSe
I4/mmm
139
tetragonal
4/mmm
8,752.776623
false
[CIF] data_Ir2WAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46071148 _cell_length_b 4.46071148 _cell_length_c 4.46071148 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ir2WAu _chemical_formula_sum 'Ir2 W1 Au1' _cell_volume 62.76209097 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 3.15419934 3.15419934 3.15419934 1 Ir Ir1 1 4.73129901 4.73129901 4.73129901 1 Ir Ir2 1 1.57709967 1.57709967 1.57709967 1 W W3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuIr2W
Fm-3m
225
cubic
m-3m
20,246.487021
false
[CIF] data_Ca(GeB)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13577709 _cell_length_b 4.13577709 _cell_length_c 8.48247756 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca(GeB)2 _chemical_formula_sum 'Ca2 Ge4 B4' _cell_volume 145.08982793 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 B B1 1 2.06788855 2.06788855 0.00000000 1 B B2 1 2.06788855 0.00000000 5.27579907 1 B B3 1 0.00000000 2.06788855 3.20667849 1 Ca Ca4 1 2.06788855 0.00000000 1.96085464 1 Ca Ca5 1 0.00000000 2.06788855 6.52162292 1 Ge Ge6 1 0.00000000 0.00000000 4.24123878 1 Ge Ge7 1 2.06788855 2.06788855 4.24123878 1 Ge Ge8 1 2.06788855 0.00000000 7.47938506 1 Ge Ge9 1 0.00000000 2.06788855 1.00309250 1 [/CIF]
B4Ca2Ge4
P4/nmm
129
tetragonal
4/mmm
4,737.732216
false
[CIF] data_NbPdPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17792889 _cell_length_b 4.48200421 _cell_length_c 6.16529815 _cell_angle_alpha 90.00000000 _cell_angle_beta 95.98073053 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbPdPb2 _chemical_formula_sum 'Nb1 Pd1 Pb2' _cell_volume 87.33738700 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 1.99285443 2.24100211 1.53271914 1 Pb Pb2 1 0.54268747 2.24100211 4.59902126 1 Pd Pd3 1 1.26777095 0.00000000 3.06587020 1 [/CIF]
NbPb2Pd
P2/m
10
monoclinic
2/m
11,668.732775
false
[CIF] data_MgC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.63552537 _cell_length_b 3.63552537 _cell_length_c 3.63552537 _cell_angle_alpha 46.86893245 _cell_angle_beta 46.86893245 _cell_angle_gamma 46.86893245 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgC _chemical_formula_sum 'Mg1 C1' _cell_volume 23.38690368 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.00000000 0.00000000 0.00000000 1 Mg Mg1 1 0.00000000 -0.00000000 4.84426680 1 [/CIF]
CMg
R-3m
166
trigonal
-3m
2,578.521696
false
[CIF] data_RbSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.43473064 _cell_length_b 6.43473064 _cell_length_c 6.43473064 _cell_angle_alpha 33.46057591 _cell_angle_beta 33.46057591 _cell_angle_gamma 33.46057591 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbSb _chemical_formula_sum 'Rb1 Sb1' _cell_volume 72.13406486 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rb Rb0 1 0.00000000 0.00000000 0.00000000 1 Sb Sb1 1 -0.00000000 -0.00000000 9.10326350 1 [/CIF]
RbSb
R-3m
166
trigonal
-3m
4,770.421065
false
[CIF] data_ZrAgSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29264887 _cell_length_b 5.29264887 _cell_length_c 3.23264139 _cell_angle_alpha 90.96194788 _cell_angle_beta 90.96194788 _cell_angle_gamma 99.68543366 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAgSn2 _chemical_formula_sum 'Zr1 Ag1 Sn2' _cell_volume 89.23220465 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 3.41316606 0.00000000 0.00000000 1 Sn Sn1 1 1.66450536 -2.02252500 1.61577290 1 Sn Sn2 1 1.66450536 2.02252500 1.61577290 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgSn2Zr
C2/m
12
monoclinic
2/m
8,123.138546
false
[CIF] data_GaFeTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34701963 _cell_length_b 4.34701963 _cell_length_c 3.40398963 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaFeTe _chemical_formula_sum 'Ga1 Fe1 Te1' _cell_volume 55.70601134 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 0.00000000 3.12468643 1 Ga Ga1 1 0.00000000 2.50975295 0.91340469 1 Te Te2 1 2.17350982 1.25487648 2.76988811 1 [/CIF]
FeGaTe
P3m1
156
trigonal
3m
7,546.678425
false
[CIF] data_Be2AlV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00989457 _cell_length_b 4.00989457 _cell_length_c 4.00989457 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2AlV _chemical_formula_sum 'Be2 Al1 V1' _cell_volume 45.59149814 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Be Be1 1 1.41771182 1.41771182 1.41771182 1 Be Be2 1 4.25313546 4.25313546 4.25313546 1 V V3 1 2.83542364 2.83542364 2.83542364 1 [/CIF]
AlBe2V
Fm-3m
225
cubic
m-3m
3,494.607917
false
[CIF] data_Cd3Cu5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49576614 _cell_length_b 5.49576614 _cell_length_c 4.05435316 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 96.60883806 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd3Cu5 _chemical_formula_sum 'Cd3 Cu5' _cell_volume 121.64172118 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 3.65563397 0.00000000 0.00000000 1 Cd Cd1 1 3.65563397 -2.13273998 2.02717658 1 Cd Cd2 1 3.65563397 2.13273998 2.02717658 1 Cu Cu3 1 0.00000000 0.00000000 0.00000000 1 Cu Cu4 1 1.82781698 -2.05181540 0.00000000 1 Cu Cu5 1 1.82781698 2.05181540 0.00000000 1 Cu Cu6 1 5.52856455 0.00000000 2.02717658 1 Cu Cu7 1 1.78270339 -0.00000000 2.02717658 1 [/CIF]
Cd3Cu5
Cmmm
65
orthorhombic
mmm
8,940.942615
false
[CIF] data_Ba2LiAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.74291844 _cell_length_b 5.74291844 _cell_length_c 4.25929891 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2LiAu _chemical_formula_sum 'Ba2 Li1 Au1' _cell_volume 140.47641552 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 2.87145922 2.87145922 0.00000000 1 Ba Ba1 1 2.87145922 0.00000000 2.12964946 1 Ba Ba2 1 0.00000000 2.87145922 2.12964946 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuBa2Li
P4/mmm
123
tetragonal
4/mmm
5,657.322455
false
[CIF] data_LiAlTlFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52983212 _cell_length_b 4.52983212 _cell_length_c 4.52983212 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAlTlFe _chemical_formula_sum 'Li1 Al1 Tl1 Fe1' _cell_volume 65.72511022 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 3.20307501 3.20307501 3.20307501 1 Fe Fe1 1 1.60153751 1.60153751 1.60153751 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 4.80461252 4.80461252 4.80461252 1 [/CIF]
AlFeLiTl
F-43m
216
cubic
-43m
7,431.694786
false