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_CdFeSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57598776 _cell_length_b 4.57598776 _cell_length_c 3.23732260 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdFeSn _chemical_formula_sum 'Cd1 Fe1 Sn1' _cell_volume 58.70651762 _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 -0.00000002 2.64194778 0.01029216 1 Fe Fe1 1 0.00000000 0.00000000 1.52364187 1 Sn Sn2 1 2.28799386 1.32097390 1.70338857 1 [/CIF]
CdFeSn
P3m1
156
trigonal
3m
8,116.956571
false
[CIF] data_YInRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03278656 _cell_length_b 4.41803617 _cell_length_c 5.72304259 _cell_angle_alpha 90.00000000 _cell_angle_beta 97.28378654 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YInRu2 _chemical_formula_sum 'Y1 In1 Ru2' _cell_volume 76.06402013 _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 In In0 1 1.15359840 0.00000000 2.83842985 1 Ru Ru1 1 0.28237270 2.20901808 4.07512045 1 Ru Ru2 1 2.02482410 2.20901808 1.60173925 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InRu2Y
P2/m
10
monoclinic
2/m
8,860.336037
false
[CIF] data_YTc2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27692683 _cell_length_b 3.27692683 _cell_length_c 6.53048280 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTc2As _chemical_formula_sum 'Y1 Tc2 As1' _cell_volume 70.12595333 _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 Tc Tc1 1 1.63846342 1.63846342 1.34645455 1 Tc Tc2 1 1.63846342 1.63846342 5.18402825 1 Y Y3 1 0.00000000 0.00000000 3.26524140 1 [/CIF]
AsTc2Y
P4/mmm
123
tetragonal
4/mmm
8,563.407286
false
[CIF] data_LaFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.46543073 _cell_length_b 7.46543073 _cell_length_c 3.23032584 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 143.08628307 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaFe2 _chemical_formula_sum 'La2 Fe4' _cell_volume 108.13090276 _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 Fe Fe0 1 2.36348456 -0.96168289 0.80758146 1 Fe Fe1 1 2.36348456 0.96168289 2.42274438 1 Fe Fe2 1 2.36348456 3.08276526 0.80758146 1 Fe Fe3 1 2.36348456 -3.08276526 2.42274438 1 La La4 1 2.36348456 -5.57141629 0.80758146 1 La La5 1 2.36348456 5.57141629 2.42274438 1 [/CIF]
Fe4La2
Cmcm
63
orthorhombic
mmm
7,696.66316
false
[CIF] data_Sc2TlHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04101752 _cell_length_b 5.04101752 _cell_length_c 5.04101752 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2TlHg _chemical_formula_sum 'Sc2 Tl1 Hg1' _cell_volume 90.58152412 _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 0.00000000 1 Sc Sc1 1 5.34680651 5.34680651 5.34680651 1 Sc Sc2 1 1.78226884 1.78226884 1.78226884 1 Tl Tl3 1 3.56453768 3.56453768 3.56453768 1 [/CIF]
HgSc2Tl
Fm-3m
225
cubic
m-3m
9,072.427417
false
[CIF] data_Ga2SiAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18639964 _cell_length_b 4.18639964 _cell_length_c 4.04457082 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2SiAg _chemical_formula_sum 'Ga2 Si1 Ag1' _cell_volume 70.88491339 _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 2.09319982 2.09319982 0.00000000 1 Ga Ga1 1 2.09319982 0.00000000 2.02228541 1 Ga Ga2 1 0.00000000 2.09319982 2.02228541 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgGa2Si
P4/mmm
123
tetragonal
4/mmm
6,451.470968
false
[CIF] data_FeRuPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36671599 _cell_length_b 4.36671599 _cell_length_c 4.36671599 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeRuPb _chemical_formula_sum 'Fe1 Ru1 Pb1' _cell_volume 58.87756524 _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 0.00000000 1 Pb Pb1 1 3.08773449 3.08773449 3.08773449 1 Ru Ru2 1 4.63160174 4.63160174 4.63160174 1 [/CIF]
FePbRu
F-43m
216
cubic
-43m
10,269.228692
false
[CIF] data_Yb5Sb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.07073228 _cell_length_b 9.07073228 _cell_length_c 6.89263700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Yb5Sb3 _chemical_formula_sum 'Yb10 Sb6' _cell_volume 491.13483341 _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 Yb Yb0 1 3.38460316 5.86230463 1.72315925 1 Yb Yb1 1 1.15076299 1.99317996 5.16947775 1 Yb Yb2 1 6.76920631 0.00000000 5.16947775 1 Yb Yb3 1 -1.15076299 1.99317996 1.72315925 1 Yb Yb4 1 2.30152597 0.00000000 1.72315925 1 Yb Yb5 1 -3.38460316 5.86230463 5.16947775 1 Yb Yb6 1 4.53536614 2.61849486 0.00000000 1 Yb Yb7 1 0.00000000 5.23698973 3.44631850 1 Yb Yb8 1 0.00000000 5.23698973 0.00000000 1 Yb Yb9 1 4.53536614 2.61849486 3.44631850 1 Sb Sb10 1 -2.77124024 4.79992889 1.72315925 1 Sb Sb11 1 3.52825181 0.00000000 5.16947775 1 Sb Sb12 1 2.77124024 4.79992889 5.16947775 1 Sb Sb13 1 1.76412590 3.05555570 1.72315925 1 Sb Sb14 1 5.54248048 0.00000000 1.72315925 1 Sb Sb15 1 -1.76412590 3.05555570 5.16947775 1 [/CIF]
Sb6Yb10
P6_3/mcm
193
hexagonal
6/mmm
8,321.040035
false
[CIF] data_TaRhAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.92811089 _cell_length_b 2.92811089 _cell_length_c 7.91282611 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaRhAu2 _chemical_formula_sum 'Ta1 Rh1 Au2' _cell_volume 67.84325284 _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 1.46405545 1.46405545 5.95381816 1 Au Au1 1 1.46405545 1.46405545 1.95900795 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 0.00000000 0.00000000 3.95641306 1 [/CIF]
Au2RhTa
P4/mmm
123
tetragonal
4/mmm
16,589.728967
false
[CIF] data_HfTePb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.23640880 _cell_length_b 6.23640880 _cell_length_c 5.54970141 _cell_angle_alpha 107.95918617 _cell_angle_beta 107.95918617 _cell_angle_gamma 33.29764750 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTePb2 _chemical_formula_sum 'Hf1 Te1 Pb2' _cell_volume 112.19124081 _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 1.27415140 0.00000000 4.15902976 1 Pb Pb1 1 9.90119347 0.00000000 4.83126560 1 Pb Pb2 1 8.59787228 0.00000000 1.53948538 1 Te Te3 1 5.63647265 0.00000000 2.60632278 1 [/CIF]
HfPb2Te
Cm
8
monoclinic
m
10,663.950086
false
[CIF] data_MoAuBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09260133 _cell_length_b 3.09260133 _cell_length_c 9.35080054 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoAuBr2 _chemical_formula_sum 'Mo1 Au1 Br2' _cell_volume 89.43276743 _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 0.00000000 0.00000000 4.67540027 1 Br Br1 1 1.54630067 1.54630067 7.73906505 1 Br Br2 1 1.54630067 1.54630067 1.61173549 1 Mo Mo3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuBr2Mo
P4/mmm
123
tetragonal
4/mmm
8,406.129657
false
[CIF] data_NbTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13083473 _cell_length_b 3.13083473 _cell_length_c 4.93819100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbTl _chemical_formula_sum 'Nb1 Tl1' _cell_volume 41.91976127 _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 Tl Tl1 1 1.56541738 0.90379413 2.46909550 1 [/CIF]
NbTl
P-6m2
187
hexagonal
-6m2
11,776.282803
false
[CIF] data_ZrMnP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35885738 _cell_length_b 4.35885738 _cell_length_c 4.35885738 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrMnP2 _chemical_formula_sum 'Zr1 Mn1 P2' _cell_volume 58.56025773 _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 3.08217761 3.08217761 3.08217761 1 P P1 1 0.00000000 0.00000000 0.00000000 1 P P2 1 1.54108881 1.54108881 1.54108881 1 Zr Zr3 1 4.62326641 4.62326641 4.62326641 1 [/CIF]
MnP2Zr
F-43m
216
cubic
-43m
5,901.17057
false
[CIF] data_Sr2BePd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48146190 _cell_length_b 3.48146190 _cell_length_c 8.78256641 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2BePd _chemical_formula_sum 'Sr2 Be1 Pd1' _cell_volume 106.44977209 _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 5.16118485 1 Pd Pd1 1 1.74073095 1.74073095 5.80822172 1 Sr Sr2 1 0.00000000 0.00000000 8.08243664 1 Sr Sr3 1 1.74073095 1.74073095 2.90457282 1 [/CIF]
BePdSr2
P4mm
99
tetragonal
4mm
4,534.274751
false
[CIF] data_ReHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.07625147 _cell_length_b 6.07625147 _cell_length_c 4.93721338 _cell_angle_alpha 111.09594043 _cell_angle_beta 111.09594043 _cell_angle_gamma 26.68850774 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReHg _chemical_formula_sum 'Re2 Hg2' _cell_volume 76.06427121 _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 Hg Hg0 1 9.43526286 -0.00000000 2.90798485 1 Hg Hg1 1 0.56276850 -0.00000000 1.67900406 1 Re Re2 1 3.92542289 -0.00000000 0.39816016 1 Re Re3 1 6.07260847 -0.00000000 4.18882875 1 [/CIF]
Hg2Re2
C2/m
12
monoclinic
2/m
16,888.12682
false
[CIF] data_Mn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48040910 _cell_length_b 2.48040910 _cell_length_c 4.01528569 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn _chemical_formula_sum Mn2 _cell_volume 21.39408495 _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 Mn Mn0 1 0.00000000 1.43206486 1.00382142 1 Mn Mn1 1 1.24020455 0.71603243 3.01146427 1 [/CIF]
Mn2
P6_3/mmc
194
hexagonal
6/mmm
8,528.223582
false
[CIF] data_TaCuNiPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30858617 _cell_length_b 4.30858617 _cell_length_c 4.30858617 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCuNiPd _chemical_formula_sum 'Ta1 Cu1 Ni1 Pd1' _cell_volume 56.55738905 _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 1.52331525 1.52331525 1.52331525 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 3.04663050 3.04663050 3.04663050 1 Ta Ta3 1 4.56994575 4.56994575 4.56994575 1 [/CIF]
CuNiPdTa
F-43m
216
cubic
-43m
12,026.172032
false
[CIF] data_NaZn3W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01394618 _cell_length_b 5.01394618 _cell_length_c 5.01394618 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZn3W _chemical_formula_sum 'Na1 Zn3 W1' _cell_volume 126.04888365 _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 Na Na0 1 0.00000000 0.00000000 0.00000000 1 Zn Zn1 1 2.50697309 0.00000000 2.50697309 1 Zn Zn2 1 2.50697309 2.50697309 0.00000000 1 Zn Zn3 1 0.00000000 2.50697309 2.50697309 1 W W4 1 2.50697309 2.50697309 2.50697309 1 [/CIF]
NaWZn3
Pm-3m
221
cubic
m-3m
5,308.631264
false
[CIF] data_In2TcMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11699928 _cell_length_b 3.11699928 _cell_length_c 7.98539845 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2TcMo _chemical_formula_sum 'In2 Tc1 Mo1' _cell_volume 77.58361204 _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 In In0 1 0.00000000 0.00000000 7.62389052 1 In In1 1 1.55849964 1.55849964 2.32103456 1 Mo Mo2 1 0.00000000 0.00000000 4.31886322 1 Tc Tc3 1 1.55849964 1.55849964 5.69970783 1 [/CIF]
In2MoTc
P4mm
99
tetragonal
4mm
9,085.719663
false
[CIF] data_Al2VMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75075227 _cell_length_b 4.75075227 _cell_length_c 4.81665555 _cell_angle_alpha 99.58180413 _cell_angle_beta 99.58180413 _cell_angle_gamma 34.28503441 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2VMo _chemical_formula_sum 'Al2 V1 Mo1' _cell_volume 60.30133693 _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 6.59949363 0.00000000 1.17643624 1 Al Al1 1 1.64086857 0.00000000 3.56657895 1 Mo Mo2 1 4.12018110 0.00000000 2.37150759 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2MoV
C2/m
12
monoclinic
2/m
5,531.278319
false
[CIF] data_Re2RhCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61548694 _cell_length_b 4.61548694 _cell_length_c 2.77893866 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2RhCl _chemical_formula_sum 'Re2 Rh1 Cl1' _cell_volume 59.19895122 _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 Re Re1 1 0.00000000 2.30774347 1.38946933 1 Re Re2 1 2.30774347 0.00000000 1.38946933 1 Rh Rh3 1 2.30774347 2.30774347 0.00000000 1 [/CIF]
ClRe2Rh
P4/mmm
123
tetragonal
4/mmm
14,327.345542
false
[CIF] data_BiIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44448261 _cell_length_b 5.44448261 _cell_length_c 5.44448261 _cell_angle_alpha 59.23937159 _cell_angle_beta 59.23937159 _cell_angle_gamma 59.23937159 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiIr2 _chemical_formula_sum 'Bi2 Ir4' _cell_volume 112.14098970 _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 Bi Bi0 1 -0.00000000 -0.00000000 5.03638944 1 Bi Bi1 1 -0.00000000 -0.00000000 8.37596388 1 Ir Ir2 1 0.00000000 0.00000000 -0.00000000 1 Ir Ir3 1 1.18983614 2.06085665 6.70617666 1 Ir Ir4 1 -2.37967229 0.00000000 6.70617666 1 Ir Ir5 1 1.18983614 -2.06085665 6.70617666 1 [/CIF]
Bi2Ir4
R32
155
trigonal
32
17,574.087692
false
[CIF] data_CoReP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12355793 _cell_length_b 4.12355793 _cell_length_c 4.12355793 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoReP2 _chemical_formula_sum 'Co1 Re1 P2' _cell_volume 49.57940407 _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 P P1 1 1.45789789 1.45789789 1.45789789 1 P P2 1 4.37369366 4.37369366 4.37369366 1 Re Re3 1 2.91579577 2.91579577 2.91579577 1 [/CIF]
CoP2Re
Fm-3m
225
cubic
m-3m
10,285.14124
false
[CIF] data_Zr2BeAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45800101 _cell_length_b 5.45800101 _cell_length_c 5.45800101 _cell_angle_alpha 138.27521391 _cell_angle_beta 138.27521391 _cell_angle_gamma 60.48175620 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2BeAs _chemical_formula_sum 'Zr2 Be1 As1' _cell_volume 71.25846973 _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 1.94372921 2.35762638 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 1.94372921 -0.00000000 2.35762638 1 Zr Zr3 1 0.00000000 -0.00000000 4.71525276 1 [/CIF]
AsBeZr2
I-4m2
119
tetragonal
-42m
6,207.50568
false
[CIF] data_LiGaFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.93353025 _cell_length_b 8.93353025 _cell_length_c 8.93353025 _cell_angle_alpha 17.04670005 _cell_angle_beta 17.04670005 _cell_angle_gamma 17.04670005 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiGaFe2 _chemical_formula_sum 'Li1 Ga1 Fe2' _cell_volume 53.45327226 _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 19.87430894 1 Fe Fe1 1 -0.00000000 0.00000000 6.53088054 1 Ga Ga2 1 -0.00000000 -0.00000000 13.20259474 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Fe2GaLi
R-3m
166
trigonal
-3m
5,851.263395
false
[CIF] data_NiSn2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.72447440 _cell_length_b 6.72447440 _cell_length_c 6.72447440 _cell_angle_alpha 30.07903616 _cell_angle_beta 30.07903616 _cell_angle_gamma 30.07903616 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiSn2B _chemical_formula_sum 'Ni1 Sn2 B1' _cell_volume 67.66511275 _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 Ni Ni1 1 -0.00000000 -0.00000000 9.62328978 1 Sn Sn2 1 -0.00000000 0.00000000 14.27733270 1 Sn Sn3 1 -0.00000000 -0.00000000 4.96924685 1 [/CIF]
BNiSn2
R-3m
166
trigonal
-3m
7,539.360247
false
[CIF] data_BaSr2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50200593 _cell_length_b 5.50200593 _cell_length_c 5.62276578 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSr2Bi _chemical_formula_sum 'Ba1 Sr2 Bi1' _cell_volume 170.21275509 _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 0.00000000 0.00000000 0.00000000 1 Bi Bi1 1 2.75100297 2.75100297 0.00000000 1 Sr Sr2 1 2.75100297 0.00000000 2.81138289 1 Sr Sr3 1 0.00000000 2.75100297 2.81138289 1 [/CIF]
BaBiSr2
P4/mmm
123
tetragonal
4/mmm
5,088.043092
false
[CIF] data_SnPdW4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34045991 _cell_length_b 5.34045991 _cell_length_c 5.34045991 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnPdW4 _chemical_formula_sum 'Sn1 Pd1 W4' _cell_volume 107.70130879 _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 0.00000000 0.00000000 0.00000000 1 Sn Sn1 1 1.88813771 1.88813771 1.88813771 1 W W2 1 2.82751905 2.82751905 4.72503179 1 W W3 1 2.82751905 4.72503179 2.82751905 1 W W4 1 4.72503179 2.82751905 2.82751905 1 W W5 1 4.72503179 4.72503179 4.72503179 1 [/CIF]
PdSnW4
F-43m
216
cubic
-43m
14,808.837385
false
[CIF] data_ZrNiMoRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44615296 _cell_length_b 4.44615296 _cell_length_c 4.44615296 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNiMoRh _chemical_formula_sum 'Zr1 Ni1 Mo1 Rh1' _cell_volume 62.14958050 _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 1.57195246 1.57195246 1.57195246 1 Ni Ni1 1 0.00000000 -0.00000000 0.00000000 1 Rh Rh2 1 4.71585737 4.71585737 4.71585737 1 Zr Zr3 1 3.14390491 3.14390491 3.14390491 1 [/CIF]
MoNiRhZr
F-43m
216
cubic
-43m
9,318.93066
false
[CIF] data_TlSi2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.24505871 _cell_length_b 6.24505871 _cell_length_c 6.27844923 _cell_angle_alpha 116.77148594 _cell_angle_beta 116.77148594 _cell_angle_gamma 35.56048314 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlSi2Br _chemical_formula_sum 'Tl1 Si2 Br1' _cell_volume 125.46450426 _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 -0.00000000 -0.00000000 0.00000000 1 Si Si1 1 9.31161838 -0.00000000 0.56997971 1 Si Si2 1 -0.38797397 -0.00000000 4.96163313 1 Tl Tl3 1 4.46182221 -0.00000000 2.76580642 1 [/CIF]
BrSi2Tl
C2/m
12
monoclinic
2/m
4,506.009975
false
[CIF] data_Mn2AgBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.82698434 _cell_length_b 8.82698434 _cell_length_c 8.82698434 _cell_angle_alpha 21.68645336 _cell_angle_beta 21.68645336 _cell_angle_gamma 21.68645336 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2AgBi _chemical_formula_sum 'Mn2 Ag1 Bi1' _cell_volume 82.30237540 _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 Bi Bi1 1 -0.00000000 -0.00000000 12.92431466 1 Mn Mn2 1 0.00000000 0.00000000 6.63243905 1 Mn Mn3 1 -0.00000000 -0.00000000 19.21619026 1 [/CIF]
AgBiMn2
R-3m
166
trigonal
-3m
8,609.630221
false
[CIF] data_HfZnReHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63072540 _cell_length_b 4.63072540 _cell_length_c 4.63072540 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZnReHg _chemical_formula_sum 'Hf1 Zn1 Re1 Hg1' _cell_volume 70.21535342 _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 4.91162600 4.91162600 4.91162600 1 Hg Hg1 1 3.27441733 3.27441733 3.27441733 1 Re Re2 1 1.63720866 1.63720867 1.63720866 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfHgReZn
F-43m
216
cubic
-43m
14,914.789152
false
[CIF] data_CrCu2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76911770 _cell_length_b 4.76911770 _cell_length_c 2.50438642 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 118.08655868 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrCu2Tc _chemical_formula_sum 'Cr1 Cu2 Tc1' _cell_volume 50.25309984 _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 Cu Cu1 1 1.22659430 2.04489298 1.25219321 1 Cu Cu2 1 1.22659430 -2.04489299 1.25219321 1 Tc Tc3 1 2.45318861 -0.00000000 0.00000000 1 [/CIF]
CrCu2Tc
Cmmm
65
orthorhombic
mmm
9,185.908867
false
[CIF] data_NaSn2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55582495 _cell_length_b 4.55582495 _cell_length_c 4.48714639 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSn2Au _chemical_formula_sum 'Na1 Sn2 Au1' _cell_volume 93.13315076 _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 2.27791247 2.27791247 0.00000000 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 0.00000000 2.27791247 2.24357320 1 Sn Sn3 1 2.27791247 0.00000000 2.24357320 1 [/CIF]
AuNaSn2
P4/mmm
123
tetragonal
4/mmm
8,154.897281
false
[CIF] data_Os2BrCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.44254665 _cell_length_b 8.44254665 _cell_length_c 8.44254665 _cell_angle_alpha 20.29051966 _cell_angle_beta 20.29051966 _cell_angle_gamma 20.29051966 _symmetry_Int_Tables_number 1 _chemical_formula_structural Os2BrCl _chemical_formula_sum 'Os2 Br1 Cl1' _cell_volume 63.32485967 _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 -0.00000000 -0.00000000 12.39910781 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 -0.00000000 0.00000000 18.58701350 1 Os Os3 1 -0.00000000 0.00000000 6.21120212 1 [/CIF]
BrClOs2
R-3m
166
trigonal
-3m
13,001.584254
false
[CIF] data_TlFeSnRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73600213 _cell_length_b 4.73600213 _cell_length_c 4.73600213 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlFeSnRu _chemical_formula_sum 'Tl1 Fe1 Sn1 Ru1' _cell_volume 75.11396173 _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 0.00000000 1 Ru Ru1 1 5.02328883 5.02328883 5.02328883 1 Sn Sn2 1 3.34885922 3.34885922 3.34885922 1 Tl Tl3 1 1.67442961 1.67442961 1.67442961 1 [/CIF]
FeRuSnTl
F-43m
216
cubic
-43m
10,611.509712
false
[CIF] data_HoNb2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72545875 _cell_length_b 4.72545875 _cell_length_c 4.72545875 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HoNb2Pd _chemical_formula_sum 'Ho1 Nb2 Pd1' _cell_volume 74.61341739 _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 Ho Ho0 1 3.34140393 3.34140393 3.34140393 1 Nb Nb1 1 1.67070196 1.67070196 1.67070196 1 Nb Nb2 1 5.01210589 5.01210589 5.01210589 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HoNb2Pd
Fm-3m
225
cubic
m-3m
10,174.27134
false
[CIF] data_SrMnBiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85332173 _cell_length_b 4.85332173 _cell_length_c 4.85332173 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMnBiIr _chemical_formula_sum 'Sr1 Mn1 Bi1 Ir1' _cell_volume 80.83552240 _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 5.14772507 5.14772507 5.14772507 1 Ir Ir1 1 3.43181671 3.43181671 3.43181671 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 1.71590836 1.71590836 1.71590836 1 [/CIF]
BiIrMnSr
F-43m
216
cubic
-43m
11,169.9304
false
[CIF] data_ZrNb2Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13866779 _cell_length_b 5.13866779 _cell_length_c 5.13866779 _cell_angle_alpha 131.59458314 _cell_angle_beta 131.59458314 _cell_angle_gamma 70.87009737 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNb2Ga _chemical_formula_sum 'Zr1 Nb2 Ga1' _cell_volume 74.32662246 _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 0.00000000 1 Nb Nb1 1 2.10667985 -0.00000000 2.09342463 1 Nb Nb2 1 0.00000000 -0.00000000 4.18684925 1 Zr Zr3 1 -0.00000000 2.10667985 2.09342463 1 [/CIF]
GaNb2Zr
I-4m2
119
tetragonal
-42m
7,746.997093
false
[CIF] data_BaNa2Mn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20573628 _cell_length_b 4.20573628 _cell_length_c 8.07619070 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNa2Mn _chemical_formula_sum 'Ba1 Na2 Mn1' _cell_volume 142.85341894 _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 0.00000000 0.00000000 4.03809535 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Na Na2 1 2.10286814 2.10286814 1.54053887 1 Na Na3 1 2.10286814 2.10286814 6.53565183 1 [/CIF]
BaMnNa2
P4/mmm
123
tetragonal
4/mmm
2,769.373259
false
[CIF] data_TiHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99869858 _cell_length_b 3.99869858 _cell_length_c 2.82411479 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiHg _chemical_formula_sum 'Ti1 Hg1' _cell_volume 45.15643855 _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 1.99934929 1.99934929 0.00000000 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgTi
P4/mmm
123
tetragonal
4/mmm
9,136.516699
false
[CIF] data_HfP2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40091451 _cell_length_b 4.40091451 _cell_length_c 4.40091451 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfP2Ir _chemical_formula_sum 'Hf1 P2 Ir1' _cell_volume 60.27174945 _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 0.00000000 0.00000000 0.00000000 1 Ir Ir1 1 3.11191649 3.11191649 3.11191649 1 P P2 1 1.55595824 1.55595824 1.55595825 1 P P3 1 4.66787474 4.66787474 4.66787473 1 [/CIF]
HfIrP2
Fm-3m
225
cubic
m-3m
11,920.008064
false
[CIF] data_Fe(MoO5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.83678800 _cell_length_b 7.19482102 _cell_length_c 10.23472524 _cell_angle_alpha 81.37445244 _cell_angle_beta 76.22838533 _cell_angle_gamma 76.10012116 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe(MoO5)2 _chemical_formula_sum 'Fe2 Mo4 O20' _cell_volume 472.34511367 _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 Fe Fe0 1 2.06085347 1.29796077 5.83231691 1 Fe Fe1 1 8.94071753 6.66450123 4.05992409 1 Mo Mo2 1 7.47928080 4.49266232 6.85224653 1 Mo Mo3 1 3.52229020 3.46979968 3.03999447 1 Mo Mo4 1 9.42351821 6.56290370 9.04875929 1 Mo Mo5 1 1.57805279 1.39955830 0.84348171 1 O O6 1 3.85792842 6.80381943 4.71158536 1 O O7 1 7.14364258 1.15864257 5.18065564 1 O O8 1 3.76446339 1.18196885 6.53385486 1 O O9 1 7.23710761 6.78049315 3.35838614 1 O O10 1 8.22356585 2.85123035 6.88713646 1 O O11 1 2.77800515 5.11123165 3.00510454 1 O O12 1 5.76839040 4.34972387 6.79129054 1 O O13 1 5.23318060 3.61273813 3.10095046 1 O O14 1 8.07460704 5.35406951 5.42112613 1 O O15 1 2.92696396 2.60839249 4.47111487 1 O O16 1 7.96255163 5.51311137 8.43592506 1 O O17 1 3.03901937 2.44935063 1.45631594 1 O O18 1 7.43489724 4.43489868 0.92109624 1 O O19 1 3.56667376 3.52756332 8.97114476 1 O O20 1 1.70688407 4.95909651 0.31762007 1 O O21 1 9.29468693 3.00336549 9.57462093 1 O O22 1 3.45156703 6.96900976 7.57613105 1 O O23 1 7.55000397 0.99345224 2.31610995 1 O O24 1 7.19349713 1.05784084 9.72875193 1 O O25 1 3.80807387 6.90462116 0.16348907 1 [/CIF]
Fe2Mo4O20
P-1
2
triclinic
-1
2,866.970483
false
[CIF] data_YTiCr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51620583 _cell_length_b 4.32689357 _cell_length_c 4.65083691 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTiCr2 _chemical_formula_sum 'Y1 Ti1 Cr2' _cell_volume 70.75898800 _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 1.75810292 2.16344679 0.00000000 1 Cr Cr1 1 1.75810292 0.00000000 2.32541845 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 0.00000000 2.16344679 2.32541845 1 [/CIF]
Cr2TiY
Pmmm
47
orthorhombic
mmm
5,650.162371
false
[CIF] data_TiIn2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26918171 _cell_length_b 4.26918171 _cell_length_c 4.10172968 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiIn2Pt _chemical_formula_sum 'Ti1 In2 Pt1' _cell_volume 74.75776614 _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 In In0 1 0.00000000 2.13459085 2.05086484 1 In In1 1 2.13459085 0.00000000 2.05086484 1 Pt Pt2 1 2.13459085 2.13459085 0.00000000 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
In2PtTi
P4/mmm
123
tetragonal
4/mmm
10,497.226127
false
[CIF] data_Si2BP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10633064 _cell_length_b 4.10633064 _cell_length_c 4.10633064 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2BP _chemical_formula_sum 'Si2 B1 P1' _cell_volume 48.96060194 _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 P P1 1 2.90361424 2.90361424 2.90361424 1 Si Si2 1 4.35542136 4.35542136 4.35542136 1 Si Si3 1 1.45180712 1.45180712 1.45180712 1 [/CIF]
BPSi2
Fm-3m
225
cubic
m-3m
3,322.2502
false
[CIF] data_AlSiNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.85646357 _cell_length_b 3.81713987 _cell_length_c 6.64389631 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlSiNi _chemical_formula_sum 'Al4 Si4 Ni4' _cell_volume 173.88458879 _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 Al Al0 1 1.91486259 2.86285490 3.79027840 1 Al Al1 1 1.51336920 0.95428497 0.46833024 1 Al Al2 1 4.94160098 0.95428497 2.85361791 1 Al Al3 1 5.34309437 2.86285490 6.17556607 1 Ni Ni4 1 6.27951828 2.86285490 3.89529767 1 Ni Ni5 1 4.00517707 0.95428497 0.57334952 1 Ni Ni6 1 0.57694529 0.95428497 2.74859864 1 Ni Ni7 1 2.85128650 2.86285490 6.07054679 1 Si Si8 1 3.38886965 2.86285490 1.70362477 1 Si Si9 1 0.03936213 0.95428497 5.02557292 1 Si Si10 1 3.46759392 0.95428497 4.94027154 1 Si Si11 1 6.81710144 2.86285490 1.61832339 1 [/CIF]
Al4Ni4Si4
Pnma
62
orthorhombic
mmm
4,345.494994
false
[CIF] data_TlMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25641452 _cell_length_b 4.25641452 _cell_length_c 4.25641452 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlMo _chemical_formula_sum 'Tl1 Mo1' _cell_volume 54.52764609 _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 0.00000000 0.00000000 0.00000000 1 Tl Tl1 1 4.51460935 4.51460935 4.51460936 1 [/CIF]
MoTl
F-43m
216
cubic
-43m
9,146.402216
false
[CIF] data_YbNpPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83636290 _cell_length_b 4.83636290 _cell_length_c 4.83636290 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbNpPd2 _chemical_formula_sum 'Yb1 Np1 Pd2' _cell_volume 79.99109541 _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 Np Np0 1 3.41982500 3.41982500 3.41982500 1 Pd Pd1 1 1.70991250 1.70991250 1.70991250 1 Pd Pd2 1 5.12973750 5.12973750 5.12973750 1 Yb Yb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NpPd2Yb
Fm-3m
225
cubic
m-3m
12,930.687048
false
[CIF] data_Re4Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.59907592 _cell_length_b 7.59907592 _cell_length_c 7.59907592 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re4Pd _chemical_formula_sum 'Re16 Pd4' _cell_volume 337.80063384 _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 Pd Pd0 1 -2.88433604 2.88433604 2.88433604 1 Pd Pd1 1 1.50299249 1.50299249 1.50299249 1 Pd Pd2 1 2.88433604 2.88433604 -2.88433604 1 Pd Pd3 1 2.88433604 -2.88433604 2.88433604 1 Re Re4 1 -1.46147928 1.46147928 1.46147928 1 Re Re5 1 2.92584925 2.92584925 2.92584925 1 Re Re6 1 1.46147928 1.46147928 -1.46147928 1 Re Re7 1 1.46147928 -1.46147928 1.46147928 1 Re Re8 1 0.00000000 -0.00000000 2.98546045 1 Re Re9 1 -0.00000000 0.00000000 5.78919661 1 Re Re10 1 0.00000000 2.98546045 -0.00000000 1 Re Re11 1 -0.00000000 5.78919661 0.00000000 1 Re Re12 1 5.78919661 -0.00000000 0.00000000 1 Re Re13 1 2.98546045 0.00000000 -0.00000000 1 Re Re14 1 -0.00000000 4.38732853 2.19366427 1 Re Re15 1 4.38732853 -0.00000000 2.19366427 1 Re Re16 1 4.38732853 2.19366426 -0.00000000 1 Re Re17 1 -0.00000000 2.19366426 4.38732853 1 Re Re18 1 2.19366427 4.38732853 -0.00000000 1 Re Re19 1 2.19366427 -0.00000000 4.38732853 1 [/CIF]
Pd4Re16
I-43m
217
cubic
-43m
16,738.04508
false
[CIF] data_BePb2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.98635718 _cell_length_b 5.98635718 _cell_length_c 5.98635718 _cell_angle_alpha 138.58246052 _cell_angle_beta 138.58246052 _cell_angle_gamma 60.01209419 _symmetry_Int_Tables_number 1 _chemical_formula_structural BePb2Au _chemical_formula_sum 'Be1 Pb2 Au1' _cell_volume 92.92248349 _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 -0.00000000 2.11688377 2.59201073 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 2.11688377 -0.00000000 2.59201073 1 Pb Pb3 1 0.00000000 -0.00000000 5.18402146 1 [/CIF]
AuBePb2
I-4m2
119
tetragonal
-42m
11,086.263662
false
[CIF] data_Si2AgGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78854064 _cell_length_b 5.78854064 _cell_length_c 5.78854064 _cell_angle_alpha 151.22890341 _cell_angle_beta 131.79519364 _cell_angle_gamma 57.11057140 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2AgGe _chemical_formula_sum 'Si2 Ag1 Ge1' _cell_volume 69.13878227 _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 5.08440105 1 Ge Ge1 1 0.00000000 0.00000000 0.00000000 1 Si Si2 1 1.43813730 0.00000000 2.38510870 1 Si Si3 1 -0.00000000 2.36385909 2.69929235 1 [/CIF]
AgGeSi2
Immm
71
orthorhombic
mmm
5,684.437084
false
[CIF] data_Zr2MnTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21075007 _cell_length_b 3.21075007 _cell_length_c 7.72530559 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2MnTl _chemical_formula_sum 'Zr2 Mn1 Tl1' _cell_volume 79.63952649 _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 Tl Tl1 1 0.00000000 0.00000000 3.86265279 1 Zr Zr2 1 1.60537504 1.60537504 6.17782375 1 Zr Zr3 1 1.60537504 1.60537504 1.54748184 1 [/CIF]
MnTlZr2
P4/mmm
123
tetragonal
4/mmm
9,211.195597
false
[CIF] data_YFe4Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05308289 _cell_length_b 5.05308289 _cell_length_c 5.05308289 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YFe4Sb _chemical_formula_sum 'Y1 Fe4 Sb1' _cell_volume 91.23348618 _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 4.46668556 4.46668556 2.67945280 1 Fe Fe1 1 4.46668556 2.67945280 4.46668556 1 Fe Fe2 1 2.67945280 4.46668556 4.46668556 1 Fe Fe3 1 2.67945280 2.67945280 2.67945280 1 Sb Sb4 1 5.35960377 5.35960377 5.35960377 1 Y Y5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Fe4SbY
F-43m
216
cubic
-43m
7,900.06083
false
[CIF] data_LaBeTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10667907 _cell_length_b 5.10667907 _cell_length_c 3.99198725 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaBeTe2 _chemical_formula_sum 'La1 Be1 Te2' _cell_volume 104.10372663 _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 La La1 1 2.55333954 2.55333954 0.00000000 1 Te Te2 1 2.55333954 0.00000000 1.99599363 1 Te Te3 1 0.00000000 2.55333954 1.99599363 1 [/CIF]
BeLaTe2
P4/mmm
123
tetragonal
4/mmm
6,430.054247
false
[CIF] data_Pm3Sc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.17151972 _cell_length_b 6.17151972 _cell_length_c 6.17151972 _cell_angle_alpha 131.75596826 _cell_angle_beta 131.75596826 _cell_angle_gamma 70.61472262 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pm3Sc _chemical_formula_sum 'Pm3 Sc1' _cell_volume 128.15321737 _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 Pm Pm0 1 -0.00000000 2.52218400 2.51817550 1 Pm Pm1 1 2.52218400 -0.00000000 2.51817550 1 Pm Pm2 1 0.00000000 0.00000000 5.03635100 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pm3Sc
I4/mmm
139
tetragonal
4/mmm
6,219.005332
false
[CIF] data_SrBeTl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29253374 _cell_length_b 5.29253374 _cell_length_c 5.29253374 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrBeTl2 _chemical_formula_sum 'Sr1 Be1 Tl2' _cell_volume 104.82766428 _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 Sr Sr1 1 3.74238650 3.74238650 3.74238650 1 Tl Tl2 1 1.87119325 1.87119325 1.87119325 1 Tl Tl3 1 5.61357975 5.61357975 5.61357975 1 [/CIF]
BeSrTl2
Fm-3m
225
cubic
m-3m
8,005.848719
false
[CIF] data_Te2PbCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38844080 _cell_length_b 4.38844080 _cell_length_c 6.12282603 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Te2PbCl _chemical_formula_sum 'Te2 Pb1 Cl1' _cell_volume 117.91591030 _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 Pb Pb1 1 2.19422040 2.19422040 0.00000000 1 Te Te2 1 2.19422040 0.00000000 3.06141301 1 Te Te3 1 0.00000000 2.19422040 3.06141301 1 [/CIF]
ClPbTe2
P4/mmm
123
tetragonal
4/mmm
7,010.965304
false
[CIF] data_NiGe2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12044306 _cell_length_b 3.85489160 _cell_length_c 4.84300905 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiGe2Rh _chemical_formula_sum 'Ni1 Ge2 Rh1' _cell_volume 58.25640931 _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 1.56022153 1.92744580 0.00000000 1 Ge Ge1 1 0.00000000 1.92744580 2.42150453 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Rh Rh3 1 1.56022153 0.00000000 2.42150453 1 [/CIF]
Ge2NiRh
Pmmm
47
orthorhombic
mmm
8,747.267608
false
[CIF] data_KNa2La _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69707366 _cell_length_b 3.69707366 _cell_length_c 13.22465979 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.53537513 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNa2La _chemical_formula_sum 'K1 Na2 La1' _cell_volume 166.95710152 _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 K K0 1 0.00000000 0.00000000 0.00000000 1 La La1 1 0.00000000 0.00000000 6.61232989 1 Na Na2 1 2.05303501 0.00000000 9.72246584 1 Na Na3 1 2.05303501 0.00000000 3.50219395 1 [/CIF]
KLaNa2
Cmmm
65
orthorhombic
mmm
2,227.716166
false
[CIF] data_NaMoRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80102039 _cell_length_b 4.57846982 _cell_length_c 4.79908258 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMoRu2 _chemical_formula_sum 'Na1 Mo1 Ru2' _cell_volume 61.54529379 _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 1.40051020 0.00000000 2.39954129 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 0.00000000 2.28923491 2.39954129 1 Ru Ru3 1 1.40051020 2.28923491 0.00000000 1 [/CIF]
MoNaRu2
Pmmm
47
orthorhombic
mmm
8,663.24739
false
[CIF] data_MgTe2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45526408 _cell_length_b 4.79155009 _cell_length_c 5.09217232 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTe2W _chemical_formula_sum 'Mg1 Te2 W1' _cell_volume 84.30636603 _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 0.00000000 1 Te Te1 1 1.72763204 0.00000000 2.54608616 1 Te Te2 1 1.72763204 2.39577505 0.00000000 1 W W3 1 0.00000000 2.39577505 2.54608616 1 [/CIF]
MgTe2W
Pmmm
47
orthorhombic
mmm
9,126.267802
false
[CIF] data_BaLiLaIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80214890 _cell_length_b 5.80214890 _cell_length_c 5.80214890 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLiLaIn _chemical_formula_sum 'Ba1 Li1 La1 In1' _cell_volume 138.11842296 _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 6.15410825 6.15410825 6.15410825 1 In In1 1 4.10273883 4.10273883 4.10273883 1 La La2 1 2.05136941 2.05136941 2.05136941 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaInLaLi
F-43m
216
cubic
-43m
4,784.882204
false
[CIF] data_ScCuSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01459256 _cell_length_b 5.01459256 _cell_length_c 5.01459256 _cell_angle_alpha 135.95693939 _cell_angle_beta 135.95693939 _cell_angle_gamma 64.04691461 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCuSi2 _chemical_formula_sum 'Sc1 Cu1 Si2' _cell_volume 60.12215341 _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 1.88024645 0.00000000 2.12576370 1 Sc Sc1 1 0.00000000 0.00000000 4.25152739 1 Si Si2 1 -0.00000000 1.88024645 2.12576369 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CuScSi2
I-4m2
119
tetragonal
-42m
4,548.170484
false
[CIF] data_TaC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14874650 _cell_length_b 3.14874650 _cell_length_c 3.14874650 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaC _chemical_formula_sum 'Ta1 C1' _cell_volume 22.07486692 _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 Ta Ta1 1 2.22650000 2.22650000 2.22650000 1 [/CIF]
C4Ta4
Fm-3m
225
cubic
m-3m
14,514.935084
false
[CIF] data_CdOsW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52388392 _cell_length_b 4.52388392 _cell_length_c 4.52388392 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdOsW2 _chemical_formula_sum 'Cd1 Os1 W2' _cell_volume 65.46653592 _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 0.00000000 1 Os Os1 1 3.19886900 3.19886900 3.19886900 1 W W2 1 1.59943450 1.59943450 1.59943450 1 W W3 1 4.79830350 4.79830350 4.79830350 1 [/CIF]
CdOsW2
Fm-3m
225
cubic
m-3m
17,002.491304
false
[CIF] data_TaHgAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78923191 _cell_length_b 4.78923191 _cell_length_c 4.78923191 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaHgAs2 _chemical_formula_sum 'Ta1 Hg1 As2' _cell_volume 77.67524013 _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 1.69324918 1.69324918 1.69324918 1 As As1 1 -0.00000000 -0.00000000 0.00000000 1 Hg Hg2 1 5.07974754 5.07974754 5.07974754 1 Ta Ta3 1 3.38649836 3.38649836 3.38649836 1 [/CIF]
As2HgTa
F-43m
216
cubic
-43m
11,359.849562
false
[CIF] data_GaAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93131739 _cell_length_b 3.93131739 _cell_length_c 3.93131739 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaAs _chemical_formula_sum 'Ga1 As1' _cell_volume 42.96346737 _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 0.00000000 1 As As1 1 4.16979178 4.16979178 4.16979178 1 [/CIF]
AsGa
F-43m
216
cubic
-43m
5,590.517335
false
[CIF] data_BaHgBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.78962268 _cell_length_b 6.78962268 _cell_length_c 6.78962268 _cell_angle_alpha 144.41295915 _cell_angle_beta 144.41295915 _cell_angle_gamma 51.21021848 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaHgBi _chemical_formula_sum 'Ba1 Hg1 Bi1' _cell_volume 105.43280946 _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 -0.00000000 0.00000000 0.10832175 1 Bi Bi1 1 -0.00000000 0.00000000 3.84961293 1 Hg Hg2 1 0.00000000 0.00000000 8.28774708 1 [/CIF]
BaBiHg
I4mm
107
tetragonal
4mm
8,613.490456
false
[CIF] data_CuTeMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01788707 _cell_length_b 5.01788707 _cell_length_c 5.01788707 _cell_angle_alpha 140.59590915 _cell_angle_beta 140.59590915 _cell_angle_gamma 56.94960358 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuTeMo _chemical_formula_sum 'Cu1 Te1 Mo1' _cell_volume 50.49131499 _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 0.00000000 0.00000000 8.79761059 1 Mo Mo1 1 0.00000000 0.00000000 2.95019788 1 Te Te2 1 0.00000000 0.00000000 5.89562197 1 [/CIF]
CuMoTe
I4mm
107
tetragonal
4mm
9,442.232379
false
[CIF] data_Be2HgAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.76650109 _cell_length_b 5.76650109 _cell_length_c 5.76650109 _cell_angle_alpha 151.34873148 _cell_angle_beta 139.28494844 _cell_angle_gamma 50.54163833 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2HgAu _chemical_formula_sum 'Be2 Hg1 Au1' _cell_volume 59.70247960 _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 0.00000000 0.00000000 8.21851442 1 Be Be1 1 0.00000000 2.00603385 5.02496984 1 Be Be2 1 -0.00000000 0.00000000 2.13951488 1 Hg Hg3 1 -0.00000000 2.00603385 0.26094315 1 [/CIF]
AuBe2Hg
Imm2
44
orthorhombic
mm2
11,558.789169
false
[CIF] data_KTa4Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56585000 _cell_length_b 5.56585000 _cell_length_c 5.56585000 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTa4Tc _chemical_formula_sum 'K1 Ta4 Tc1' _cell_volume 121.92127523 _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 K K0 1 0.00000000 0.00000000 0.00000000 1 Ta Ta1 1 4.91229223 4.91229223 2.95900833 1 Ta Ta2 1 4.91229223 2.95900833 4.91229223 1 Ta Ta3 1 2.95900833 4.91229223 4.91229223 1 Ta Ta4 1 2.95900833 2.95900833 2.95900833 1 Tc Tc5 1 5.90347542 5.90347542 5.90347542 1 [/CIF]
KTa4Tc
F-43m
216
cubic
-43m
11,737.458914
false
[CIF] data_Zr2In5Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.16841900 _cell_length_b 10.16841900 _cell_length_c 6.79309100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2In5Ni _chemical_formula_sum 'Zr8 In20 Ni4' _cell_volume 702.38349761 _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 Zr Zr0 1 2.02154271 8.14687629 3.39654550 1 Zr Zr1 1 7.10575221 7.10575221 0.00000000 1 Zr Zr2 1 1.64964295 8.51877605 0.00000000 1 Zr Zr3 1 3.43456655 3.43456655 3.39654550 1 Zr Zr4 1 8.14687629 2.02154271 3.39654550 1 Zr Zr5 1 6.73385245 6.73385245 3.39654550 1 Zr Zr6 1 8.51877605 1.64964295 0.00000000 1 Zr Zr7 1 3.06266679 3.06266679 0.00000000 1 In In8 1 2.04725864 5.67812652 1.50646303 1 In In9 1 3.03695086 0.59391702 4.90300853 1 In In10 1 5.08420950 5.08420950 5.42009183 1 In In11 1 4.49029248 8.12116036 1.50646303 1 In In12 1 5.67812652 2.04725864 5.28662797 1 In In13 1 8.12116036 4.49029248 1.50646303 1 In In14 1 9.57450198 7.13146814 1.89008247 1 In In15 1 8.12116036 4.49029248 5.28662797 1 In In16 1 9.57450198 7.13146814 4.90300853 1 In In17 1 3.03695086 0.59391702 1.89008247 1 In In18 1 5.67812652 2.04725864 1.50646303 1 In In19 1 0.59391702 3.03695086 1.89008247 1 In In20 1 0.00000000 0.00000000 2.02354633 1 In In21 1 7.13146814 9.57450198 4.90300853 1 In In22 1 2.04725864 5.67812652 5.28662797 1 In In23 1 4.49029248 8.12116036 5.28662797 1 In In24 1 0.59391702 3.03695086 4.90300853 1 In In25 1 0.00000000 0.00000000 4.76954467 1 In In26 1 7.13146814 9.57450198 1.89008247 1 In In27 1 5.08420950 5.08420950 1.37299917 1 Ni Ni28 1 1.15237676 1.15237676 0.00000000 1 Ni Ni29 1 9.01604224 9.01604224 0.00000000 1 Ni Ni30 1 6.23658626 3.93183274 3.39654550 1 Ni Ni31 1 3.93183274 6.23658626 3.39654550 1 [/CIF]
In20Ni4Zr8
P4_2/mnm
136
tetragonal
4/mmm
7,709.313175
false
[CIF] data_HfTaNbVMoC5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.28593884 _cell_length_b 11.28593884 _cell_length_c 11.28593884 _cell_angle_alpha 163.95360343 _cell_angle_beta 163.95360343 _cell_angle_gamma 22.76845645 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTaNbVMoC5 _chemical_formula_sum 'Hf1 Ta1 Nb1 V1 Mo1 C5' _cell_volume 109.81272294 _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 22.10878343 1 C C1 1 -0.00000000 0.00000000 8.76648782 1 C C2 1 0.00000000 0.00000000 17.77811481 1 C C3 1 0.00000000 -0.00000000 4.47712493 1 C C4 1 0.00000000 0.00000000 13.25521722 1 Hf Hf5 1 0.00000000 0.00000000 15.57672227 1 Mo Mo6 1 0.00000000 -0.00000000 19.85377238 1 Nb Nb7 1 0.00000000 -0.00000000 10.98413455 1 Ta Ta8 1 -0.00000000 0.00000000 2.20778149 1 V V9 1 0.00000000 -0.00000000 6.69469708 1 [/CIF]
C5HfMoNbTaV
I4mm
107
tetragonal
4mm
9,969.629643
false
[CIF] data_BaGaPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42149614 _cell_length_b 4.42149614 _cell_length_c 4.85928904 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaGaPt _chemical_formula_sum 'Ba1 Ga1 Pt1' _cell_volume 82.27006958 _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 -0.00000002 2.55275200 2.42964452 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 2.21074805 1.27637601 0.00000000 1 [/CIF]
BaGaPt
P-6m2
187
hexagonal
-6m2
8,116.672569
false
[CIF] data_Zr2TaOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75811129 _cell_length_b 4.75811129 _cell_length_c 3.32909531 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2TaOs _chemical_formula_sum 'Zr2 Ta1 Os1' _cell_volume 75.36946291 _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 2.37905565 2.37905565 0.00000000 1 Ta Ta1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 0.00000000 2.37905565 1.66454766 1 Zr Zr3 1 2.37905565 0.00000000 1.66454766 1 [/CIF]
OsTaZr2
P4/mmm
123
tetragonal
4/mmm
12,197.478482
false
[CIF] data_BaBeTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43168213 _cell_length_b 5.43168213 _cell_length_c 5.43168213 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaBeTl _chemical_formula_sum 'Ba1 Be1 Tl1' _cell_volume 113.31516681 _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 1.92038964 1.92038964 1.92038964 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 3.84077927 3.84077927 3.84077927 1 [/CIF]
BaBeTl
F-43m
216
cubic
-43m
5,139.544858
false
[CIF] data_BaCuP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21173556 _cell_length_b 4.21173556 _cell_length_c 4.67835442 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCuP _chemical_formula_sum 'Ba1 Cu1 P1' _cell_volume 71.86971832 _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 2.10586780 1.21582332 2.33917721 1 Cu Cu1 1 0.00000002 2.43164665 0.00000000 1 P P2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaCuP
P-6m2
187
hexagonal
-6m2
5,356.784677
false
[CIF] data_TaTiInFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51658484 _cell_length_b 4.51658484 _cell_length_c 4.51658484 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTiInFe _chemical_formula_sum 'Ta1 Ti1 In1 Fe1' _cell_volume 65.15016506 _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 3.19370777 3.19370777 3.19370777 1 In In1 1 1.59685389 1.59685389 1.59685389 1 Ta Ta2 1 4.79056166 4.79056166 4.79056166 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FeInTaTi
F-43m
216
cubic
-43m
10,181.841065
false
[CIF] data_Be2VB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53327742 _cell_length_b 4.53327742 _cell_length_c 4.53327742 _cell_angle_alpha 140.90396859 _cell_angle_beta 140.90396859 _cell_angle_gamma 56.48328877 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2VB _chemical_formula_sum 'Be2 V1 B1' _cell_volume 36.75329429 _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 Be Be1 1 1.51681969 -0.00000000 1.99681748 1 Be Be2 1 -0.00000000 1.51681969 1.99681748 1 V V3 1 0.00000000 -0.00000000 3.99363496 1 [/CIF]
BBe2V
I4/mmm
139
tetragonal
4/mmm
3,604.373481
false
[CIF] data_BeNiMoRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15921671 _cell_length_b 4.15921671 _cell_length_c 4.15921671 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeNiMoRh _chemical_formula_sum 'Be1 Ni1 Mo1 Rh1' _cell_volume 50.87678386 _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 Mo Mo1 1 4.41151551 4.41151551 4.41151551 1 Ni Ni2 1 1.47050517 1.47050517 1.47050517 1 Rh Rh3 1 2.94101034 2.94101034 2.94101034 1 [/CIF]
BeMoNiRh
F-43m
216
cubic
-43m
8,700.465362
false
[CIF] data_Mg2SiSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.85126214 _cell_length_b 9.85126214 _cell_length_c 9.85126214 _cell_angle_alpha 19.01553583 _cell_angle_beta 19.01553583 _cell_angle_gamma 19.01553583 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2SiSn _chemical_formula_sum 'Mg2 Si1 Sn1' _cell_volume 88.70356215 _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 0.04641274 1 Mg Mg1 1 0.00000000 -0.00000000 21.93884475 1 Si Si2 1 -0.00000000 0.00000000 14.42803637 1 Sn Sn3 1 0.00000000 0.00000000 7.10354416 1 [/CIF]
Mg2SiSn
R3m
160
trigonal
3m
3,658.009426
false
[CIF] data_HfCo4W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76214043 _cell_length_b 4.76214043 _cell_length_c 4.76214043 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCo4W _chemical_formula_sum 'Hf1 Co4 W1' _cell_volume 76.36451469 _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 4.20887674 2.52580684 4.20887674 1 Co Co1 1 2.52580684 4.20887674 4.20887674 1 Co Co2 1 2.52580684 2.52580684 2.52580684 1 Co Co3 1 4.20887674 4.20887674 2.52580684 1 Hf Hf4 1 0.00000000 0.00000000 0.00000000 1 W W5 1 5.05101268 5.05101268 5.05101269 1 [/CIF]
Co4HfW
F-43m
216
cubic
-43m
13,004.817938
false
[CIF] data_Hf2SiAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.64057557 _cell_length_b 6.64057557 _cell_length_c 6.64057557 _cell_angle_alpha 33.31323249 _cell_angle_beta 33.31323249 _cell_angle_gamma 33.31323249 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2SiAs _chemical_formula_sum 'Hf2 Si1 As1' _cell_volume 78.64524333 _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 9.39945455 1 Hf Hf1 1 -0.00000000 -0.00000000 4.76695631 1 Hf Hf2 1 -0.00000000 0.00000000 14.03195279 1 Si Si3 1 -0.00000000 0.00000000 -0.00000000 1 [/CIF]
AsHf2Si
R-3m
166
trigonal
-3m
9,739.939668
false
[CIF] data_MnIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97438471 _cell_length_b 4.97438471 _cell_length_c 6.16386806 _cell_angle_alpha 103.17692071 _cell_angle_beta 103.17692071 _cell_angle_gamma 31.08487595 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnIr _chemical_formula_sum 'Mn3 Ir3' _cell_volume 76.51204819 _cell_formula_units_Z 3 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 3.33455305 -0.00000000 1.59773523 1 Ir Ir1 1 5.87129944 -0.00000000 1.96817156 1 Ir Ir2 1 2.23138255 -0.00000000 4.07973042 1 Mn Mn3 1 -1.40653371 -0.00000000 5.93767639 1 Mn Mn4 1 -0.35168643 -0.00000000 3.73423534 1 Mn Mn5 1 5.49772647 -0.00000000 5.63967750 1 [/CIF]
Ir3Mn3
Cm
8
monoclinic
m
16,091.999264
false
[CIF] data_Ca2MgGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.43805023 _cell_length_b 10.43805023 _cell_length_c 10.43805023 _cell_angle_alpha 20.38385340 _cell_angle_beta 20.38385340 _cell_angle_gamma 20.38385340 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2MgGa _chemical_formula_sum 'Ca2 Mg1 Ga1' _cell_volume 120.74544585 _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 7.37311099 1 Ca Ca1 1 0.00000000 0.00000000 23.28044300 1 Ga Ga2 1 0.00000000 -0.00000000 15.32677699 1 Mg Mg3 1 -0.00000000 0.00000000 -0.00000000 1 [/CIF]
Ca2GaMg
R-3m
166
trigonal
-3m
2,395.447172
false
[CIF] data_AlCuSnPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05878370 _cell_length_b 5.05878370 _cell_length_c 5.05878370 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCuSnPb _chemical_formula_sum 'Al1 Cu1 Sn1 Pb1' _cell_volume 91.54261920 _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 Cu Cu1 1 1.78855013 1.78855013 1.78855013 1 Pb Pb2 1 5.36565039 5.36565039 5.36565039 1 Sn Sn3 1 3.57710026 3.57710026 3.57710026 1 [/CIF]
AlCuPbSn
F-43m
216
cubic
-43m
7,553.976582
false
[CIF] data_TePd2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99724085 _cell_length_b 3.99724085 _cell_length_c 4.32213445 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TePd2W _chemical_formula_sum 'Te1 Pd2 W1' _cell_volume 69.05878077 _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 1.99862042 0.00000000 2.16106723 1 Pd Pd1 1 0.00000000 1.99862042 2.16106723 1 Te Te2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 1.99862042 1.99862042 0.00000000 1 [/CIF]
Pd2TeW
P4/mmm
123
tetragonal
4/mmm
12,606.469622
false
[CIF] data_TiWBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37630129 _cell_length_b 4.37630129 _cell_length_c 4.37630129 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiWBr _chemical_formula_sum 'Ti1 W1 Br1' _cell_volume 59.26614017 _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 1.54725616 1.54725616 1.54725616 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 4.64176848 4.64176848 4.64176848 1 [/CIF]
BrTiW
F-43m
216
cubic
-43m
8,730.824001
false
[CIF] data_CaOs2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56797443 _cell_length_b 7.42555922 _cell_length_c 7.42555922 _cell_angle_alpha 22.69246969 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaOs2Se _chemical_formula_sum 'Ca1 Os2 Se1' _cell_volume 75.89709740 _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 4.58570868 1 Os Os1 1 1.78398721 0.00000000 14.07868943 1 Os Os2 1 0.00000000 -0.00000000 7.93292126 1 Se Se3 1 1.78398721 -0.00000000 9.93149449 1 [/CIF]
CaOs2Se
Amm2
38
orthorhombic
mm2
10,928.433501
false
[CIF] data_YZnW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51269980 _cell_length_b 4.51269980 _cell_length_c 4.51269980 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZnW _chemical_formula_sum 'Y1 Zn1 W1' _cell_volume 64.98218847 _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 W W0 1 4.78644095 4.78644095 4.78644095 1 Y Y1 1 1.59548032 1.59548032 1.59548032 1 Zn Zn2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
WYZn
F-43m
216
cubic
-43m
8,640.385875
false
[CIF] data_LiSn2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81596519 _cell_length_b 3.81596519 _cell_length_c 6.28642995 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiSn2As _chemical_formula_sum 'Li1 Sn2 As1' _cell_volume 91.54041758 _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 3.14321498 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 1.90798260 1.90798260 1.62301659 1 Sn Sn3 1 1.90798260 1.90798260 4.66341336 1 [/CIF]
AsLiSn2
P4/mmm
123
tetragonal
4/mmm
5,791.772035
false
[CIF] data_NbFeHg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90314747 _cell_length_b 4.90314747 _cell_length_c 4.90314747 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbFeHg3 _chemical_formula_sum 'Nb1 Fe1 Hg3' _cell_volume 117.87585792 _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 2.45157374 2.45157374 2.45157374 1 Hg Hg1 1 0.00000000 2.45157374 0.00000000 1 Hg Hg2 1 0.00000000 0.00000000 2.45157374 1 Hg Hg3 1 2.45157374 0.00000000 0.00000000 1 Fe Fe4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FeHg3Nb
Pm-3m
221
cubic
m-3m
10,572.733839
false
[CIF] data_CdGaRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24413060 _cell_length_b 3.24413060 _cell_length_c 6.24737119 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdGaRh2 _chemical_formula_sum 'Cd1 Ga1 Rh2' _cell_volume 65.74972933 _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 1.62206530 1.62206530 3.04069570 1 Ga Ga1 1 0.00000000 0.00000000 5.04504330 1 Rh Rh2 1 1.62206530 1.62206530 6.03710323 1 Rh Rh3 1 0.00000000 0.00000000 1.49558574 1 [/CIF]
CdGaRh2
P4mm
99
tetragonal
4mm
9,797.725933
false
[CIF] data_CaCd2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31658235 _cell_length_b 5.31658235 _cell_length_c 3.06965133 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 105.76324149 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCd2Mo _chemical_formula_sum 'Ca1 Cd2 Mo1' _cell_volume 83.50382293 _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 Cd Cd1 1 1.60418251 2.11969584 1.53482566 1 Cd Cd2 1 1.60418250 -2.11969584 1.53482566 1 Mo Mo3 1 3.20836501 0.00000000 0.00000000 1 [/CIF]
CaCd2Mo
Cmmm
65
orthorhombic
mmm
7,175.984363
false
[CIF] data_BePBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15647992 _cell_length_b 3.15647992 _cell_length_c 6.86079720 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BePBr _chemical_formula_sum 'Be1 P1 Br1' _cell_volume 59.19857821 _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 0.10758841 1 Br Br1 1 1.57823996 0.91119727 1.49448588 1 P P2 1 -0.00000000 1.82239453 5.25872291 1 [/CIF]
BeBrP
P3m1
156
trigonal
3m
3,362.951304
false
[CIF] data_LaTmNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82276240 _cell_length_b 4.82276240 _cell_length_c 4.82276240 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTmNi2 _chemical_formula_sum 'La1 Tm1 Ni2' _cell_volume 79.31815475 _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 0.00000000 1 Ni Ni1 1 5.11531200 5.11531200 5.11531200 1 Ni Ni2 1 1.70510400 1.70510400 1.70510400 1 Tm Tm3 1 3.41020800 3.41020800 3.41020800 1 [/CIF]
LaNi2Tm
Fm-3m
225
cubic
m-3m
8,902.188716
false
[CIF] data_TlCdOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84438964 _cell_length_b 4.84438964 _cell_length_c 2.92628058 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlCdOs _chemical_formula_sum 'Tl1 Cd1 Os1' _cell_volume 59.47366875 _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 2.90110266 1 Os Os1 1 -0.00000000 2.79690966 1.44064998 1 Tl Tl2 1 2.42219482 1.39845483 1.51080852 1 [/CIF]
CdOsTl
P3m1
156
trigonal
3m
14,156.41031
false
[CIF] data_SmGd2V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39225065 _cell_length_b 5.39225065 _cell_length_c 5.39225065 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmGd2V _chemical_formula_sum 'Sm1 Gd2 V1' _cell_volume 110.86519275 _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 Gd Gd0 1 1.90644850 1.90644850 1.90644850 1 Gd Gd1 1 5.71934550 5.71934550 5.71934550 1 Sm Sm2 1 3.81289700 3.81289700 3.81289700 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Gd2SmV
Fm-3m
225
cubic
m-3m
7,725.675842
false
[CIF] data_ScGa2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.76690224 _cell_length_b 3.76690224 _cell_length_c 5.86046514 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScGa2Sn _chemical_formula_sum 'Sc1 Ga2 Sn1' _cell_volume 83.15737769 _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 1.88345112 1.88345112 4.45573515 1 Ga Ga1 1 1.88345112 1.88345112 1.40472999 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 0.00000000 0.00000000 2.93023257 1 [/CIF]
Ga2ScSn
P4/mmm
123
tetragonal
4/mmm
6,052.730201
false