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_DyAg(WO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.39152572 _cell_length_b 7.39152572 _cell_length_c 7.33607771 _cell_angle_alpha 114.14371117 _cell_angle_beta 114.14371117 _cell_angle_gamma 94.17584625 _symmetry_Int_Tables_number 1 _chemical_formula_structural DyAg(WO4)2 _chemical_formula_sum 'Dy2 Ag2 W4 O16' _cell_volume 319.57094829 _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 Dy Dy0 1 5.03270700 2.14697023 0.00000000 1 Dy Dy1 1 5.03270700 -2.14697023 0.00000000 1 Ag Ag2 1 4.59841825 -0.00000000 3.03787515 1 Ag Ag3 1 1.05994475 0.00000000 2.82692985 1 W W4 1 -2.13590212 0.00000000 5.67099665 1 W W5 1 7.79426512 -0.00000000 0.19380835 1 W W6 1 2.82918150 3.63072656 2.93240250 1 W W7 1 2.82918150 -3.63072656 2.93240250 1 O O8 1 -1.03764913 1.36084712 4.43065491 1 O O9 1 6.69601213 -1.36084712 1.43415009 1 O O10 1 6.69601213 1.36084712 1.43415009 1 O O11 1 -1.03764913 -1.36084712 4.43065491 1 O O12 1 1.69210657 2.52387775 3.81095615 1 O O13 1 3.96625643 -2.52387775 2.05384885 1 O O14 1 3.96625643 2.52387775 2.05384885 1 O O15 1 1.69210657 -2.52387775 3.81095615 1 O O16 1 4.31505931 -1.41351013 5.37135790 1 O O17 1 1.34330369 1.41351013 0.49344710 1 O O18 1 1.34330369 -1.41351013 0.49344710 1 O O19 1 4.31505931 1.41351013 5.37135790 1 O O20 1 6.94253155 0.00000000 3.86160461 1 O O21 1 -1.28416855 -0.00000000 2.00320039 1 O O22 1 1.78306323 0.00000000 5.07197134 1 O O23 1 3.87529977 0.00000000 0.79283366 1 [/CIF]
Ag2Dy2O16W4
C2/m
12
monoclinic
2/m
7,960.955145
false
[CIF] data_Rb2MnSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.47945891 _cell_length_b 8.47945891 _cell_length_c 8.47945891 _cell_angle_alpha 128.61030148 _cell_angle_beta 71.56964520 _cell_angle_gamma 133.79908115 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb2MnSe2 _chemical_formula_sum 'Rb4 Mn2 Se4' _cell_volume 336.54044476 _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 0.00000000 4.99030350 1 Mn Mn1 1 0.00000000 0.00000000 1.66343450 1 Rb Rb2 1 2.48282996 -2.01752009 3.32686900 1 Rb Rb3 1 1.19367754 4.86117591 3.32686900 1 Rb Rb4 1 2.48282996 2.01752009 -0.00000000 1 Rb Rb5 1 1.19367754 8.89621609 -0.00000000 1 Se Se6 1 -2.29964750 5.49092596 3.32686900 1 Se Se7 1 2.29964750 5.49092596 -0.00000000 1 Se Se8 1 1.37686000 1.38777004 3.32686900 1 Se Se9 1 5.97615500 1.38777004 -0.00000000 1 [/CIF]
Mn2Rb4Se4
Ibam
72
orthorhombic
mmm
3,787.386336
false
[CIF] data_LiCaCuPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66172883 _cell_length_b 4.66172883 _cell_length_c 4.66172883 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCaCuPd _chemical_formula_sum 'Li1 Ca1 Cu1 Pd1' _cell_volume 71.63512530 _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 4.94451011 4.94451011 4.94451011 1 Cu Cu1 1 1.64817004 1.64817004 1.64817003 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 3.29634007 3.29634007 3.29634007 1 [/CIF]
CaCuLiPd
F-43m
216
cubic
-43m
5,029.823957
false
[CIF] data_TaPbSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67967752 _cell_length_b 4.67967752 _cell_length_c 4.67967752 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaPbSe _chemical_formula_sum 'Ta1 Pb1 Se1' _cell_volume 72.46574853 _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 Pb Pb0 1 1.65451586 1.65451585 1.65451585 1 Se Se1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 4.96354757 4.96354757 4.96354757 1 [/CIF]
PbSeTa
F-43m
216
cubic
-43m
10,703.689658
false
[CIF] data_TaPd4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88308655 _cell_length_b 4.88308655 _cell_length_c 4.88308655 _cell_angle_alpha 99.20106095 _cell_angle_beta 99.20106095 _cell_angle_gamma 132.85935713 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaPd4 _chemical_formula_sum 'Ta1 Pd4' _cell_volume 78.22904501 _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 1.87639745 -0.63932117 1.95262088 1 Pd Pd1 1 1.28839369 3.80411231 0.00000000 1 Pd Pd2 1 0.63932117 1.87639745 1.95262088 1 Pd Pd3 1 2.52546997 1.28839369 -0.00000000 1 Ta Ta4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pd4Ta
I4/m
87
tetragonal
4/m
12,876.666123
false
[CIF] data_Mg2TaB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.74212560 _cell_length_b 3.74212560 _cell_length_c 4.24180660 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2TaB _chemical_formula_sum 'Mg2 Ta1 B1' _cell_volume 59.40015572 _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 Mg Mg1 1 0.00000000 1.87106280 2.12090330 1 Mg Mg2 1 1.87106280 0.00000000 2.12090330 1 Ta Ta3 1 1.87106280 1.87106280 0.00000000 1 [/CIF]
BMg2Ta
P4/mmm
123
tetragonal
4/mmm
6,719.543254
false
[CIF] data_ZnInOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84804307 _cell_length_b 2.84804307 _cell_length_c 9.70506320 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.96733496 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnInOs2 _chemical_formula_sum 'Zn1 In1 Os2' _cell_volume 67.50030617 _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 1.40315005 0.00000000 2.34513632 1 Os Os1 1 0.00000000 0.00000000 9.49364830 1 Os Os2 1 1.40315005 0.00000000 7.33792482 1 Zn Zn3 1 0.00000000 0.00000000 5.08594856 1 [/CIF]
InOs2Zn
Cmm2
35
orthorhombic
mm2
13,792.448727
false
[CIF] data_ScZnFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74164132 _cell_length_b 4.74164132 _cell_length_c 4.74164132 _cell_angle_alpha 132.12450609 _cell_angle_beta 132.12450609 _cell_angle_gamma 70.03245400 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScZnFe2 _chemical_formula_sum 'Sc1 Zn1 Fe2' _cell_volume 57.49476177 _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 3.88335477 1 Fe Fe1 1 -0.00000000 1.92389165 1.94167739 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 1.92389165 -0.00000000 1.94167739 1 [/CIF]
Fe2ScZn
I-4m2
119
tetragonal
-42m
6,412.457228
false
[CIF] data_Al4BSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36563962 _cell_length_b 5.36563962 _cell_length_c 5.36563962 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al4BSb _chemical_formula_sum 'Al4 B1 Sb1' _cell_volume 109.23190366 _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 2.83919985 2.83919985 4.74896047 1 Al Al1 1 2.83919985 4.74896047 2.83919985 1 Al Al2 1 4.74896047 2.83919985 2.83919985 1 Al Al3 1 4.74896047 4.74896047 4.74896047 1 B B4 1 0.00000000 0.00000000 0.00000000 1 Sb Sb5 1 1.89704008 1.89704008 1.89704008 1 [/CIF]
Al4BSb
F-43m
216
cubic
-43m
3,656.028201
false
[CIF] data_Li2TbEu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38421792 _cell_length_b 5.38421792 _cell_length_c 5.38421792 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2TbEu _chemical_formula_sum 'Li2 Tb1 Eu1' _cell_volume 110.37046917 _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 Eu Eu0 1 0.00000000 0.00000000 0.00000000 1 Li Li1 1 5.71082550 5.71082550 5.71082550 1 Li Li2 1 1.90360850 1.90360850 1.90360850 1 Tb Tb3 1 3.80721700 3.80721700 3.80721700 1 [/CIF]
EuLi2Tb
Fm-3m
225
cubic
m-3m
4,886.230152
false
[CIF] data_FeReRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05451879 _cell_length_b 4.05451879 _cell_length_c 4.05451879 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeReRh _chemical_formula_sum 'Fe1 Re1 Rh1' _cell_volume 47.13059842 _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 Re Re1 1 1.43348886 1.43348886 1.43348886 1 Rh Rh2 1 2.86697773 2.86697773 2.86697773 1 [/CIF]
FeReRh
F-43m
216
cubic
-43m
12,153.790197
false
[CIF] data_YCo2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.96135699 _cell_length_b 2.96135699 _cell_length_c 7.09047890 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 97.56367024 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCo2Pd _chemical_formula_sum 'Y1 Co2 Pd1' _cell_volume 61.63988984 _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 1.95132095 0.00000000 6.88874768 1 Co Co1 1 0.00000000 0.00000000 5.43593160 1 Pd Pd2 1 1.95132095 0.00000000 3.71768451 1 Y Y3 1 0.00000000 0.00000000 1.68383346 1 [/CIF]
Co2PdY
Cmm2
35
orthorhombic
mm2
8,437.197912
false
[CIF] data_Al2WSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02930375 _cell_length_b 3.02930375 _cell_length_c 7.64637236 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2WSe _chemical_formula_sum 'Al2 W1 Se1' _cell_volume 70.16832156 _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 7.49992238 1 Al Al1 1 1.51465188 1.51465188 1.72690514 1 Se Se2 1 0.00000000 0.00000000 4.19546771 1 W W3 1 1.51465188 1.51465188 5.69363559 1 [/CIF]
Al2SeW
P4mm
99
tetragonal
4mm
7,496.22412
false
[CIF] data_Lu2TlSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26855929 _cell_length_b 5.26855929 _cell_length_c 5.26855929 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu2TlSb _chemical_formula_sum 'Lu2 Tl1 Sb1' _cell_volume 103.40954259 _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 Lu Lu0 1 5.58815100 5.58815100 5.58815100 1 Lu Lu1 1 1.86271700 1.86271700 1.86271700 1 Sb Sb2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 3.72543400 3.72543400 3.72543400 1 [/CIF]
Lu2SbTl
Fm-3m
225
cubic
m-3m
10,856.368536
false
[CIF] data_LaCr2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11039322 _cell_length_b 3.11039322 _cell_length_c 7.39699060 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCr2Mo _chemical_formula_sum 'La1 Cr2 Mo1' _cell_volume 71.56252570 _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 1.55519661 1.55519661 1.31054073 1 Cr Cr1 1 1.55519661 1.55519661 6.08644987 1 La La2 1 0.00000000 0.00000000 3.69849530 1 Mo Mo3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr2LaMo
P4/mmm
123
tetragonal
4/mmm
7,862.863888
false
[CIF] data_PtRh2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75157753 _cell_length_b 4.75157753 _cell_length_c 4.75157753 _cell_angle_alpha 131.13321594 _cell_angle_beta 131.13321594 _cell_angle_gamma 71.60151218 _symmetry_Int_Tables_number 1 _chemical_formula_structural PtRh2W _chemical_formula_sum 'Pt1 Rh2 W1' _cell_volume 59.54689631 _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 0.00000000 0.00000000 3.85379594 1 Rh Rh1 1 -0.00000000 1.96541928 1.92689797 1 Rh Rh2 1 1.96541928 0.00000000 1.92689797 1 W W3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PtRh2W
I4/mmm
139
tetragonal
4/mmm
16,306.060791
false
[CIF] data_TcO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48280000 _cell_length_b 4.75460000 _cell_length_c 5.51950000 _cell_angle_alpha 90.00000000 _cell_angle_beta 117.72700001 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcO2 _chemical_formula_sum 'Tc4 O8' _cell_volume 127.36350739 _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 O O0 1 -0.48097455 1.48200882 1.99679398 1 O O1 1 4.67977540 3.85930882 0.44606628 1 O O2 1 3.39577625 3.27259118 2.88892654 1 O O3 1 -1.76497370 0.89529118 4.43965424 1 Tc Tc4 1 0.72390875 0.03470858 1.35676459 1 Tc Tc5 1 3.47489210 2.41200858 1.08609567 1 Tc Tc6 1 2.19089295 4.71989142 3.52895593 1 Tc Tc7 1 -0.56009040 2.34259142 3.79962485 1 O O8 1 2.36210332 0.99133410 1.84924522 1 O O9 1 1.83669753 3.36863410 0.59361504 1 O O10 1 0.55269838 3.76326590 3.03647530 1 O O11 1 1.07810417 1.38596590 4.29210548 1 [/CIF]
O8Tc4
P2_1/c
14
monoclinic
2/m
6,826.849259
false
[CIF] data_Gd2ScBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39707211 _cell_length_b 5.39707211 _cell_length_c 5.39707211 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Gd2ScBi _chemical_formula_sum 'Gd2 Sc1 Bi1' _cell_volume 111.16284752 _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 3.81630628 3.81630628 3.81630628 1 Gd Gd1 1 1.90815314 1.90815314 1.90815314 1 Gd Gd2 1 5.72445943 5.72445943 5.72445943 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiGd2Sc
Fm-3m
225
cubic
m-3m
8,491.242569
false
[CIF] data_Ca2SbPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56367428 _cell_length_b 3.56367428 _cell_length_c 7.89487550 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2SbPd _chemical_formula_sum 'Ca2 Sb1 Pd1' _cell_volume 100.26313740 _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 1.78183714 1.78183714 6.11988012 1 Ca Ca1 1 1.78183714 1.78183714 1.77499538 1 Pd Pd2 1 0.00000000 0.00000000 0.00000000 1 Sb Sb3 1 0.00000000 0.00000000 3.94743775 1 [/CIF]
Ca2PdSb
P4/mmm
123
tetragonal
4/mmm
5,106.674751
false
[CIF] data_Li2MnF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.79062402 _cell_length_b 5.79062402 _cell_length_c 5.79062402 _cell_angle_alpha 111.23592035 _cell_angle_beta 110.15929496 _cell_angle_gamma 107.04721343 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2MnF4 _chemical_formula_sum 'Li4 Mn2 F8' _cell_volume 149.25668513 _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 Li Li0 1 -1.55953817 3.31476843 1.71063221 1 Li Li1 1 1.55953817 3.31476843 1.71063221 1 Li Li2 1 -0.00000000 1.55212706 3.43329932 1 Li Li3 1 3.27001363 1.76264137 -0.00917764 1 Mn Mn4 1 3.27001363 0.00000000 2.37294068 1 Mn Mn5 1 -0.00000000 -0.00000000 0.80785984 1 F F6 1 1.34319407 -0.00000000 3.20084607 1 F F7 1 1.92681956 3.31476843 -0.24163090 1 F F8 1 1.98826966 -0.00000000 0.28198362 1 F F9 1 4.55175761 -0.00000000 0.28198362 1 F F10 1 -0.00000000 1.95088376 1.52542695 1 F F11 1 3.27001363 2.02798527 1.97165459 1 F F12 1 -0.00000000 1.28678316 5.41413155 1 F F13 1 0.00000000 4.67865311 1.52542695 1 [/CIF]
F8Li4Mn2
Imm2
44
orthorhombic
mm2
3,222.238052
false
[CIF] data_LaTaVIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88597580 _cell_length_b 4.88597580 _cell_length_c 4.88597580 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTaVIn _chemical_formula_sum 'La1 Ta1 V1 In1' _cell_volume 82.47815485 _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 1.72745331 1.72745331 1.72745331 1 La La1 1 5.18235993 5.18235993 5.18235993 1 Ta Ta2 1 3.45490662 3.45490662 3.45490662 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InLaTaV
F-43m
216
cubic
-43m
9,776.881043
false
[CIF] data_Li3Ta _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88127020 _cell_length_b 5.88127020 _cell_length_c 5.88127020 _cell_angle_alpha 154.23773883 _cell_angle_beta 128.57744427 _cell_angle_gamma 58.38713516 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Ta _chemical_formula_sum 'Li3 Ta1' _cell_volume 68.70191915 _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 Li Li0 1 1.31110617 0.00000000 2.39425548 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Li Li2 1 0.00000000 2.55150933 2.73995721 1 Ta Ta3 1 -0.00000000 0.00000000 5.13421269 1 [/CIF]
Li3Ta
Immm
71
orthorhombic
mmm
4,876.842348
false
[CIF] data_TaNi2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80961666 _cell_length_b 3.63382473 _cell_length_c 5.41080801 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNi2Pt _chemical_formula_sum 'Ta1 Ni2 Pt1' _cell_volume 55.24248033 _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 1.40480833 1.81691237 1.33052629 1 Ni Ni1 1 1.40480833 1.81691237 4.08028172 1 Pt Pt2 1 0.00000000 0.00000000 2.70540400 1 Ta Ta3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ni2PtTa
Pmmm
47
orthorhombic
mmm
14,831.746435
false
[CIF] data_Co3Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98012729 _cell_length_b 9.96930436 _cell_length_c 8.04305239 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co3Br _chemical_formula_sum 'Co18 Br6' _cell_volume 399.32472013 _cell_formula_units_Z 6 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 2.49006365 0.00000000 2.50628172 1 Br Br1 1 2.49006365 3.38593017 7.40196031 1 Br Br2 1 2.49006365 6.58337419 7.40196031 1 Br Br3 1 0.00000000 4.98465218 5.53677067 1 Br Br4 1 0.00000000 8.37058235 0.64109208 1 Br Br5 1 0.00000000 1.59872201 0.64109208 1 Co Co6 1 3.74587421 3.14079395 2.10836136 1 Co Co7 1 3.74587421 6.82851041 2.10836136 1 Co Co8 1 3.81717424 0.00000000 4.53857157 1 Co Co9 1 3.65301669 4.98465218 3.50448082 1 Co Co10 1 3.72431673 8.12544613 5.93469103 1 Co Co11 1 3.72431673 1.84385823 5.93469103 1 Co Co12 1 2.49006365 4.98465218 1.32495744 1 Co Co13 1 2.49006365 7.77723079 3.89401631 1 Co Co14 1 2.49006365 2.19207357 3.89401631 1 Co Co15 1 1.23425308 3.14079395 2.10836136 1 Co Co16 1 1.23425308 6.82851041 2.10836136 1 Co Co17 1 1.16295305 0.00000000 4.53857157 1 Co Co18 1 1.32711060 4.98465218 3.50448082 1 Co Co19 1 1.25581056 8.12544613 5.93469103 1 Co Co20 1 1.25581056 1.84385823 5.93469103 1 Co Co21 1 0.00000000 0.00000000 6.71809495 1 Co Co22 1 0.00000000 2.79257861 4.14903608 1 Co Co23 1 0.00000000 7.17672575 4.14903608 1 [/CIF]
Br6Co18
Pmmn
59
orthorhombic
mmm
6,404.807566
false
[CIF] data_NiRhW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73654571 _cell_length_b 4.73654571 _cell_length_c 4.73654571 _cell_angle_alpha 132.37329397 _cell_angle_beta 130.92598924 _cell_angle_gamma 70.78937823 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiRhW2 _chemical_formula_sum 'Ni1 Rh1 W2' _cell_volume 58.09825979 _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 3.85119854 1 Rh Rh1 1 0.00000000 1.96699682 1.92028502 1 W W2 1 0.00000000 0.00000000 0.01190260 1 W W3 1 1.91242069 0.00000000 1.93890269 1 [/CIF]
NiRhW2
Imm2
44
orthorhombic
mm2
15,127.618172
false
[CIF] data_Na2TiTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15648231 _cell_length_b 3.15648231 _cell_length_c 10.45048962 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2TiTe _chemical_formula_sum 'Na2 Ti1 Te1' _cell_volume 104.12220526 _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 1.57824115 1.57824115 2.67900057 1 Na Na1 1 1.57824115 1.57824115 7.77148905 1 Te Te2 1 0.00000000 0.00000000 5.22524481 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Na2TeTi
P4/mmm
123
tetragonal
4/mmm
3,531.625435
false
[CIF] data_Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51331417 _cell_length_b 4.51331417 _cell_length_c 4.51331417 _cell_angle_alpha 97.04752671 _cell_angle_beta 97.04752671 _cell_angle_gamma 138.99172043 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg _chemical_formula_sum Hg2 _cell_volume 56.50380437 _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 0.00000000 2.98921023 0.79045069 1 Hg Hg1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hg2
I4_1/amd
141
tetragonal
4/mmm
11,789.915212
false
[CIF] data_Ta2SnTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84088978 _cell_length_b 4.84088978 _cell_length_c 4.84088978 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2SnTe _chemical_formula_sum 'Ta2 Sn1 Te1' _cell_volume 80.21592309 _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 Sn Sn0 1 0.00000000 0.00000000 0.00000000 1 Ta Ta1 1 1.71151300 1.71151300 1.71151299 1 Ta Ta2 1 5.13453899 5.13453899 5.13453899 1 Te Te3 1 3.42302599 3.42302599 3.42302599 1 [/CIF]
SnTa2Te
Fm-3m
225
cubic
m-3m
12,590.385876
false
[CIF] data_ZrAl6Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94310438 _cell_length_b 3.94310438 _cell_length_c 8.80247236 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAl6Ni _chemical_formula_sum 'Zr1 Al6 Ni1' _cell_volume 136.86147537 _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 1.97155219 1.97155219 5.62051548 1 Al Al1 1 1.97155219 1.97155219 3.18195688 1 Al Al2 1 0.00000000 1.97155219 7.38500029 1 Al Al3 1 1.97155219 0.00000000 7.38500029 1 Al Al4 1 0.00000000 1.97155219 1.41747207 1 Al Al5 1 1.97155219 0.00000000 1.41747207 1 Ni Ni6 1 0.00000000 0.00000000 0.00000000 1 Zr Zr7 1 0.00000000 0.00000000 4.40123618 1 [/CIF]
Al6NiZr
P4/mmm
123
tetragonal
4/mmm
3,783.147095
false
[CIF] data_CoGeSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.43365825 _cell_length_b 3.43365825 _cell_length_c 5.36281537 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoGeSb _chemical_formula_sum 'Co1 Ge1 Sb1' _cell_volume 54.75674365 _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 0.10027467 1 Ge Ge1 1 0.00000000 1.98242352 1.41749839 1 Sb Sb2 1 1.71682913 0.99121176 3.84504230 1 [/CIF]
CoGeSb
P3m1
156
trigonal
3m
7,682.517957
false
[CIF] data_CoSn2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29720310 _cell_length_b 5.29720310 _cell_length_c 5.29720310 _cell_angle_alpha 131.85263737 _cell_angle_beta 131.85263737 _cell_angle_gamma 70.46186994 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoSn2Ge _chemical_formula_sum 'Co1 Sn2 Ge1' _cell_volume 80.80988700 _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 Ge Ge1 1 2.16078799 -0.00000000 2.16346662 1 Sn Sn2 1 0.00000000 -0.00000000 4.32693323 1 Sn Sn3 1 0.00000000 2.16078799 2.16346662 1 [/CIF]
CoGeSn2
I-4m2
119
tetragonal
-42m
7,582.334765
false
[CIF] data_BeAlTlTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48412283 _cell_length_b 4.48412283 _cell_length_c 4.48412283 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeAlTlTc _chemical_formula_sum 'Be1 Al1 Tl1 Tc1' _cell_volume 63.75547753 _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 1.58537683 1.58537683 1.58537683 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 4.75613049 4.75613049 4.75613049 1 Tl Tl3 1 3.17075366 3.17075366 3.17075366 1 [/CIF]
AlBeTcTl
F-43m
216
cubic
-43m
8,836.778647
false
[CIF] data_Mg2ScIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16821000 _cell_length_b 3.16821000 _cell_length_c 7.63417841 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2ScIr _chemical_formula_sum 'Mg2 Sc1 Ir1' _cell_volume 76.62848265 _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 3.81708920 1 Mg Mg1 1 1.58410500 1.58410500 5.30496905 1 Mg Mg2 1 1.58410500 1.58410500 2.32920936 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrMg2Sc
P4/mmm
123
tetragonal
4/mmm
6,192.915135
false
[CIF] data_ScCdHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.57346055 _cell_length_b 6.57346055 _cell_length_c 6.57346055 _cell_angle_alpha 151.00614087 _cell_angle_beta 151.00614087 _cell_angle_gamma 41.46647322 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCdHg _chemical_formula_sum 'Sc1 Cd1 Hg1' _cell_volume 66.58616189 _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 0.01108588 1 Hg Hg1 1 0.00000000 0.00000000 4.03308452 1 Sc Sc2 1 -0.00000000 -0.00000000 8.25134066 1 [/CIF]
CdHgSc
I4mm
107
tetragonal
4mm
8,926.8013
false
[CIF] data_Ti2CoPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87175971 _cell_length_b 4.87175971 _cell_length_c 4.87175971 _cell_angle_alpha 134.74908762 _cell_angle_beta 134.74908762 _cell_angle_gamma 65.92031162 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2CoPt _chemical_formula_sum 'Ti2 Co1 Pt1' _cell_volume 57.43302058 _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 4.08764567 1 Pt Pt1 1 -0.00000000 1.87419257 2.04382284 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 Ti Ti3 1 1.87419257 0.00000000 2.04382284 1 [/CIF]
CoPtTi2
I-4m2
119
tetragonal
-42m
10,112.223196
false
[CIF] data_SbOs2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53652029 _cell_length_b 4.53652029 _cell_length_c 4.53652029 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbOs2Cl _chemical_formula_sum 'Sb1 Os2 Cl1' _cell_volume 66.01666409 _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 Os Os1 1 1.60390213 1.60390213 1.60390213 1 Os Os2 1 4.81170639 4.81170639 4.81170639 1 Sb Sb3 1 3.20780426 3.20780426 3.20780426 1 [/CIF]
ClOs2Sb
Fm-3m
225
cubic
m-3m
13,524.267454
false
[CIF] data_MgBeInIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48040997 _cell_length_b 4.48040997 _cell_length_c 4.48040997 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBeInIr _chemical_formula_sum 'Mg1 Be1 In1 Ir1' _cell_volume 63.59723966 _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 In In1 1 4.75219241 4.75219241 4.75219241 1 Ir Ir2 1 3.16812827 3.16812827 3.16812827 1 Mg Mg3 1 1.58406413 1.58406413 1.58406414 1 [/CIF]
BeInIrMg
F-43m
216
cubic
-43m
8,886.676492
false
[CIF] data_HgMoP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43011359 _cell_length_b 4.43011359 _cell_length_c 3.28405498 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgMoP2 _chemical_formula_sum 'Hg1 Mo1 P2' _cell_volume 64.45255557 _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 2.21505679 2.21505679 0.00000000 1 Mo Mo1 1 0.00000000 0.00000000 0.00000000 1 P P2 1 0.00000000 2.21505679 1.64202749 1 P P3 1 2.21505679 0.00000000 1.64202749 1 [/CIF]
HgMoP2
P4/mmm
123
tetragonal
4/mmm
9,236.648594
false
[CIF] data_ScBe2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79744729 _cell_length_b 3.29380592 _cell_length_c 5.65099107 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScBe2P _chemical_formula_sum 'Sc1 Be2 P1' _cell_volume 52.06963568 _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 0.40144132 1 Be Be1 1 1.39872365 1.64690296 1.33951748 1 P P2 1 0.00000000 0.00000000 2.53830816 1 Sc Sc3 1 1.39872365 1.64690296 4.19721959 1 [/CIF]
Be2PSc
Pmm2
25
orthorhombic
mm2
2,996.263533
false
[CIF] data_MgCuTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61763153 _cell_length_b 4.61763153 _cell_length_c 4.61763153 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCuTe _chemical_formula_sum 'Mg1 Cu1 Te1' _cell_volume 69.62141209 _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 1.63257928 1.63257928 1.63257929 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 4.89773785 4.89773785 4.89773785 1 [/CIF]
CuMgTe
F-43m
216
cubic
-43m
5,138.717985
false
[CIF] data_KReAgSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91063281 _cell_length_b 4.91063281 _cell_length_c 4.91063281 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KReAgSn _chemical_formula_sum 'K1 Re1 Ag1 Sn1' _cell_volume 83.73314159 _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 1.73617088 1.73617088 1.73617088 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 5.20851264 5.20851264 5.20851264 1 Sn Sn3 1 3.47234176 3.47234176 3.47234176 1 [/CIF]
AgKReSn
F-43m
216
cubic
-43m
8,961.448132
false
[CIF] data_CuHgBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10636806 _cell_length_b 5.10636806 _cell_length_c 3.61489541 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuHgBr2 _chemical_formula_sum 'Cu1 Hg1 Br2' _cell_volume 94.25837889 _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 2.55318403 0.00000000 1.80744771 1 Br Br1 1 0.00000000 2.55318403 1.80744771 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Hg Hg3 1 2.55318403 2.55318403 0.00000000 1 [/CIF]
Br2CuHg
P4/mmm
123
tetragonal
4/mmm
7,468.572899
false
[CIF] data_Ga2HgP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81958990 _cell_length_b 5.81958990 _cell_length_c 2.83910670 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 122.58398375 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2HgP _chemical_formula_sum 'Ga2 Hg1 P1' _cell_volume 81.01948223 _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 1.39770863 2.55212015 1.41955335 1 Ga Ga1 1 1.39770863 -2.55212015 1.41955335 1 Hg Hg2 1 2.79541726 -0.00000000 0.00000000 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ga2HgP
Cmmm
65
orthorhombic
mmm
7,604.061797
false
[CIF] data_Cs2KGaF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.46703316 _cell_length_b 6.46703316 _cell_length_c 6.46703316 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs2KGaF6 _chemical_formula_sum 'Cs2 K1 Ga1 F6' _cell_volume 191.24948095 _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 Cs Cs0 1 6.85932450 6.85932450 6.85932450 1 Cs Cs1 1 2.28644150 2.28644150 2.28644150 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Ga Ga3 1 4.57288300 4.57288300 4.57288300 1 F F4 1 2.63172160 4.57288300 4.57288300 1 F F5 1 4.57288300 6.51404440 4.57288300 1 F F6 1 4.57288300 2.63172160 4.57288300 1 F F7 1 4.57288300 4.57288300 2.63172160 1 F F8 1 4.57288300 4.57288300 6.51404440 1 F F9 1 6.51404440 4.57288300 4.57288300 1 [/CIF]
Cs2F6GaK
Fm-3m
225
cubic
m-3m
4,242.505393
false
[CIF] data_CoO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06029969 _cell_length_b 3.06029969 _cell_length_c 3.06029969 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoO _chemical_formula_sum 'Co1 O1' _cell_volume 20.26641251 _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 O O0 1 0.00000000 0.00000000 0.00000000 1 Co Co1 1 2.16395866 2.16395866 2.16395866 1 [/CIF]
Co4O4
Fm-3m
225
cubic
m-3m
6,139.641208
false
[CIF] data_SrNpCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68344540 _cell_length_b 4.68344540 _cell_length_c 4.68344540 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrNpCo2 _chemical_formula_sum 'Sr1 Np1 Co2' _cell_volume 72.64092841 _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 4.96754400 4.96754400 4.96754400 1 Co Co1 1 1.65584800 1.65584800 1.65584800 1 Np Np2 1 3.31169600 3.31169600 3.31169600 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co2NpSr
Fm-3m
225
cubic
m-3m
10,115.040558
false
[CIF] data_SrNbInBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.68330496 _cell_length_b 5.68330496 _cell_length_c 5.68330496 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrNbInBi _chemical_formula_sum 'Sr1 Nb1 In1 Bi1' _cell_volume 129.80394285 _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 4.01870348 4.01870348 4.01870348 1 In In1 1 2.00935174 2.00935174 2.00935174 1 Nb Nb2 1 6.02805522 6.02805522 6.02805522 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiInNbSr
F-43m
216
cubic
-43m
6,451.66072
false
[CIF] data_Cr2RePt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.68358254 _cell_length_b 3.71994600 _cell_length_c 5.44413623 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2RePt _chemical_formula_sum 'Cr2 Re1 Pt1' _cell_volume 54.34762590 _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 1.34179127 1.85997300 1.26274301 1 Cr Cr1 1 1.34179127 1.85997300 4.18139322 1 Pt Pt2 1 0.00000000 0.00000000 2.72206811 1 Re Re3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr2PtRe
Pmmm
47
orthorhombic
mmm
14,827.358116
false
[CIF] data_Ga2NiOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86429730 _cell_length_b 4.86429730 _cell_length_c 4.29592789 _cell_angle_alpha 108.61872370 _cell_angle_beta 108.61872370 _cell_angle_gamma 34.97095885 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2NiOs _chemical_formula_sum 'Ga2 Ni1 Os1' _cell_volume 54.89953155 _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 -0.03371350 -0.00000000 0.27404705 1 Ga Ga1 1 1.27597449 -0.00000000 2.74632289 1 Ni Ni2 1 3.80442194 -0.00000000 2.30828185 1 Os Os3 1 6.71491375 0.00000000 0.74350417 1 [/CIF]
Ga2NiOs
Cm
8
monoclinic
m
11,746.959268
false
[CIF] data_LiAl2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68231601 _cell_length_b 4.68231601 _cell_length_c 4.68231601 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAl2Hg _chemical_formula_sum 'Li1 Al2 Hg1' _cell_volume 72.58839002 _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 1.65544870 1.65544870 1.65544870 1 Al Al1 1 3.31089740 3.31089740 3.31089740 1 Hg Hg2 1 4.96634610 4.96634610 4.96634610 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2HgLi
F-43m
216
cubic
-43m
5,981.963931
false
[CIF] data_MgCo2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32328839 _cell_length_b 4.32328839 _cell_length_c 4.32328839 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCo2Au _chemical_formula_sum 'Mg1 Co2 Au1' _cell_volume 57.13834054 _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 4.58553981 4.58553981 4.58553981 1 Co Co1 1 1.52851327 1.52851327 1.52851327 1 Co Co2 1 3.05702654 3.05702654 3.05702654 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuCo2Mg
F-43m
216
cubic
-43m
9,855.936042
false
[CIF] data_Ti2BSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96561675 _cell_length_b 3.96561675 _cell_length_c 3.88982386 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2BSb _chemical_formula_sum 'Ti2 B1 Sb1' _cell_volume 61.17182205 _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 Sb Sb1 1 1.98280838 1.98280838 0.00000000 1 Ti Ti2 1 1.98280838 0.00000000 1.94491193 1 Ti Ti3 1 0.00000000 1.98280838 1.94491193 1 [/CIF]
BSbTi2
P4/mmm
123
tetragonal
4/mmm
6,197.45103
false
[CIF] data_Sr2InAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60218888 _cell_length_b 5.60218888 _cell_length_c 5.60218888 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2InAg _chemical_formula_sum 'Sr2 In1 Ag1' _cell_volume 124.32493611 _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 In In1 1 3.96134575 3.96134575 3.96134575 1 Sr Sr2 1 5.94201863 5.94201863 5.94201863 1 Sr Sr3 1 1.98067288 1.98067288 1.98067288 1 [/CIF]
AgInSr2
Fm-3m
225
cubic
m-3m
5,314.879069
false
[CIF] data_ZrCdPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56235125 _cell_length_b 4.56235125 _cell_length_c 4.56235125 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCdPt _chemical_formula_sum 'Zr1 Cd1 Pt1' _cell_volume 67.15079482 _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 3.22606951 3.22606951 3.22606951 1 Pt Pt1 1 1.61303475 1.61303476 1.61303475 1 Zr Zr2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdPtZr
F-43m
216
cubic
-43m
9,859.726573
false
[CIF] data_ZrRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30453457 _cell_length_b 3.30453457 _cell_length_c 3.30453457 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrRe _chemical_formula_sum 'Zr1 Re1' _cell_volume 36.08534806 _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 Re Re0 1 1.65226728 1.65226728 1.65226728 1 Zr Zr1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
ReZr
Pm-3m
221
cubic
m-3m
12,766.539289
false
[CIF] data_CaBiPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.34823808 _cell_length_b 6.34823808 _cell_length_c 6.34823808 _cell_angle_alpha 147.05279364 _cell_angle_beta 147.05279364 _cell_angle_gamma 47.28561897 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaBiPt _chemical_formula_sum 'Ca1 Bi1 Pt1' _cell_volume 75.38355831 _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 0.00000000 -0.00000000 0.34777010 1 Ca Ca1 1 0.00000000 -0.00000000 3.60976046 1 Pt Pt2 1 0.00000000 -0.00000000 7.67324588 1 [/CIF]
BiCaPt
I4mm
107
tetragonal
4mm
9,783.510129
false
[CIF] data_EuLuIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33942129 _cell_length_b 5.33942129 _cell_length_c 5.33942129 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural EuLuIn2 _chemical_formula_sum 'Eu1 Lu1 In2' _cell_volume 107.63848291 _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 Eu Eu0 1 0.00000000 0.00000000 0.00000000 1 In In1 1 5.66331150 5.66331150 5.66331150 1 In In2 1 1.88777050 1.88777050 1.88777050 1 Lu Lu3 1 3.77554100 3.77554100 3.77554100 1 [/CIF]
EuIn2Lu
Fm-3m
225
cubic
m-3m
8,586.15701
false
[CIF] data_Sr2DyUO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.15513684 _cell_length_b 6.15513684 _cell_length_c 6.15513684 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2DyUO6 _chemical_formula_sum 'Sr2 Dy1 U1 O6' _cell_volume 164.89145118 _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 6.52850850 6.52850850 6.52850850 1 Sr Sr1 1 2.17616950 2.17616950 2.17616950 1 Dy Dy2 1 0.00000000 0.00000000 0.00000000 1 U U3 1 4.35233900 4.35233900 4.35233900 1 O O4 1 6.48700024 4.35233900 4.35233900 1 O O5 1 2.21767776 4.35233900 4.35233900 1 O O6 1 4.35233900 6.48700024 4.35233900 1 O O7 1 4.35233900 2.21767776 4.35233900 1 O O8 1 4.35233900 4.35233900 6.48700024 1 O O9 1 4.35233900 4.35233900 2.21767776 1 [/CIF]
DyO6Sr2U
Fm-3m
225
cubic
m-3m
6,765.011363
false
[CIF] data_Y2ReOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.42126629 _cell_length_b 3.42126629 _cell_length_c 6.95000799 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2ReOs _chemical_formula_sum 'Y2 Re1 Os1' _cell_volume 81.35028156 _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 0.00000000 3.47500399 1 Re Re1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 1.71063315 1.71063315 1.77472958 1 Y Y3 1 1.71063315 1.71063315 5.17527841 1 [/CIF]
OsReY2
P4/mmm
123
tetragonal
4/mmm
11,313.466672
false
[CIF] data_ZrNiOsPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66339123 _cell_length_b 4.66339123 _cell_length_c 4.66339123 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNiOsPb _chemical_formula_sum 'Zr1 Ni1 Os1 Pb1' _cell_volume 71.71178887 _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 Os Os1 1 4.94627334 4.94627334 4.94627334 1 Pb Pb2 1 1.64875778 1.64875778 1.64875778 1 Zr Zr3 1 3.29751556 3.29751556 3.29751556 1 [/CIF]
NiOsPbZr
F-43m
216
cubic
-43m
12,674.230485
false
[CIF] data_Tl2HgPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.89769531 _cell_length_b 5.89769531 _cell_length_c 5.89769531 _cell_angle_alpha 142.85224775 _cell_angle_beta 126.48389759 _cell_angle_gamma 66.94106480 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2HgPd _chemical_formula_sum 'Tl2 Hg1 Pd1' _cell_volume 98.16040551 _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 4.91967800 1 Pd Pd1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 -0.00000000 2.65528349 2.77899917 1 Tl Tl3 1 1.87857604 -0.00000000 2.14067883 1 [/CIF]
HgPdTl2
Immm
71
orthorhombic
mmm
12,108.497322
false
[CIF] data_KScZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.70097627 _cell_length_b 7.70097627 _cell_length_c 7.70097627 _cell_angle_alpha 153.51747499 _cell_angle_beta 153.51747499 _cell_angle_gamma 37.80132698 _symmetry_Int_Tables_number 1 _chemical_formula_structural KScZn _chemical_formula_sum 'K1 Sc1 Zn1' _cell_volume 90.67632962 _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 0.27594028 1 Sc Sc1 1 -0.00000000 0.00000000 4.13435098 1 Zn Zn2 1 -0.00000000 0.00000000 10.16121276 1 [/CIF]
KScZn
I4mm
107
tetragonal
4mm
2,736.561437
false
[CIF] data_LaSc2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.46671375 _cell_length_b 3.46671375 _cell_length_c 8.11708633 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaSc2Ir _chemical_formula_sum 'La1 Sc2 Ir1' _cell_volume 97.55198951 _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 1.73335687 1.73335687 3.70262736 1 La La1 1 0.00000000 0.00000000 5.71043485 1 Sc Sc2 1 1.73335687 1.73335687 0.29162264 1 Sc Sc3 1 0.00000000 0.00000000 2.47094465 1 [/CIF]
IrLaSc2
P4mm
99
tetragonal
4mm
7,166.885033
false
[CIF] data_Na2AlBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.46963465 _cell_length_b 3.46963465 _cell_length_c 8.45405705 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2AlBr _chemical_formula_sum 'Na2 Al1 Br1' _cell_volume 101.77302115 _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 Br Br1 1 0.00000000 0.00000000 4.22702852 1 Na Na2 1 1.73481733 1.73481733 6.06386982 1 Na Na3 1 1.73481733 1.73481733 2.39018723 1 [/CIF]
AlBrNa2
P4/mmm
123
tetragonal
4/mmm
2,494.1623
false
[CIF] data_KCuSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55041493 _cell_length_b 3.55041493 _cell_length_c 8.60046294 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 100.43854444 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCuSn2 _chemical_formula_sum 'K1 Cu1 Sn2' _cell_volume 106.61842237 _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 4.30023147 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 2.27173740 0.00000000 2.77366598 1 Sn Sn3 1 2.27173740 0.00000000 5.82679696 1 [/CIF]
CuKSn2
Cmmm
65
orthorhombic
mmm
5,296.364763
false
[CIF] data_In2OsPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.25136926 _cell_length_b 7.25136926 _cell_length_c 7.25136926 _cell_angle_alpha 155.04238118 _cell_angle_beta 142.84081145 _cell_angle_gamma 45.28502025 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2OsPb _chemical_formula_sum 'In2 Os1 Pb1' _cell_volume 96.91107175 _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 0.02314349 1 In In1 1 0.00000000 2.31044392 2.36311555 1 Os Os2 1 -0.00000000 0.00000000 6.73220788 1 Pb Pb3 1 1.56686514 0.00000000 4.26647068 1 [/CIF]
In2OsPb
Imm2
44
orthorhombic
mm2
10,744.567896
false
[CIF] data_YScRhAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78240171 _cell_length_b 4.78240171 _cell_length_c 4.78240171 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YScRhAu _chemical_formula_sum 'Y1 Sc1 Rh1 Au1' _cell_volume 77.34338249 _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 3.38166868 3.38166868 3.38166868 1 Rh Rh1 1 1.69083434 1.69083434 1.69083434 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 5.07250302 5.07250302 5.07250302 1 [/CIF]
AuRhScY
F-43m
216
cubic
-43m
9,312.134377
false
[CIF] data_HfTlCuIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59936052 _cell_length_b 4.59936052 _cell_length_c 4.59936052 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTlCuIr _chemical_formula_sum 'Hf1 Tl1 Cu1 Ir1' _cell_volume 68.79824504 _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 0.00000000 1 Hf Hf1 1 4.87835852 4.87835852 4.87835852 1 Ir Ir2 1 1.62611951 1.62611951 1.62611951 1 Tl Tl3 1 3.25223901 3.25223901 3.25223901 1 [/CIF]
CuHfIrTl
F-43m
216
cubic
-43m
15,414.354318
false
[CIF] data_ReSbAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21141011 _cell_length_b 4.55666471 _cell_length_c 5.01869315 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReSbAu2 _chemical_formula_sum 'Re1 Sb1 Au2' _cell_volume 73.44013842 _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 2.27833235 2.50934657 1 Au Au1 1 1.60570506 0.00000000 2.50934657 1 Re Re2 1 1.60570506 2.27833235 0.00000000 1 Sb Sb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2ReSb
Pmmm
47
orthorhombic
mmm
15,870.512027
false
[CIF] data_KCuF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06483905 _cell_length_b 4.06483905 _cell_length_c 4.06483905 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCuF3 _chemical_formula_sum 'K1 Cu1 F3' _cell_volume 67.16299634 _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 Cu Cu1 1 2.03241953 2.03241953 2.03241953 1 F F2 1 2.03241953 2.03241953 0.00000000 1 F F3 1 2.03241953 0.00000000 2.03241953 1 F F4 1 0.00000000 2.03241953 2.03241953 1 [/CIF]
CuF3K
Pm-3m
221
cubic
m-3m
3,946.941283
false
[CIF] data_ZrIr2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51336650 _cell_length_b 4.51336650 _cell_length_c 7.45015014 _cell_angle_alpha 97.00601080 _cell_angle_beta 97.00601080 _cell_angle_gamma 46.35953331 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrIr2Cl _chemical_formula_sum 'Zr1 Ir2 Cl1' _cell_volume 108.85756160 _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 7.24952362 0.00000000 2.36624296 1 Ir Ir1 1 6.71939354 0.00000000 6.05330328 1 Ir Ir2 1 0.85463133 0.00000000 5.77715668 1 Zr Zr3 1 3.45026415 0.00000000 4.26399288 1 [/CIF]
ClIr2Zr
Cm
8
monoclinic
m
7,796.608434
false
[CIF] data_IrPtRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76223244 _cell_length_b 4.76223244 _cell_length_c 4.75794627 _cell_angle_alpha 99.55891445 _cell_angle_beta 99.55891445 _cell_angle_gamma 33.52452248 _symmetry_Int_Tables_number 1 _chemical_formula_structural IrPtRh2 _chemical_formula_sum 'Ir1 Pt1 Rh2' _cell_volume 58.69204737 _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 0.00000000 1 Pt Pt1 1 4.14729638 0.00000000 2.34292231 1 Rh Rh2 1 1.68851307 0.00000000 3.54608190 1 Rh Rh3 1 6.60607969 -0.00000000 1.13976273 1 [/CIF]
IrPtRh2
C2/m
12
monoclinic
2/m
16,780.563823
false
[CIF] data_MnSn2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08958512 _cell_length_b 4.98129741 _cell_length_c 4.52638840 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnSn2Ir _chemical_formula_sum 'Mn1 Sn2 Ir1' _cell_volume 69.66176196 _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 1.54479256 2.49064871 2.20657651 1 Mn Mn1 1 0.00000000 0.00000000 1.17679169 1 Sn Sn2 1 0.00000000 2.49064871 0.00668529 1 Sn Sn3 1 1.54479256 0.00000000 3.39952912 1 [/CIF]
IrMnSn2
Pmm2
25
orthorhombic
mm2
11,550.901017
false
[CIF] data_VTcNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.21082900 _cell_length_b 6.21082900 _cell_length_c 6.21082900 _cell_angle_alpha 156.21727016 _cell_angle_beta 156.21727016 _cell_angle_gamma 33.88456296 _symmetry_Int_Tables_number 1 _chemical_formula_structural VTcNi _chemical_formula_sum 'V1 Tc1 Ni1' _cell_volume 38.92351650 _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 0.03161529 1 Tc Tc1 1 -0.00000000 0.00000000 4.03285291 1 V V2 1 0.00000000 0.00000000 7.81807494 1 [/CIF]
NiTcV
I4mm
107
tetragonal
4mm
8,896.694715
false
[CIF] data_CrNCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45942335 _cell_length_b 4.45942335 _cell_length_c 4.45942335 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrNCl3 _chemical_formula_sum 'Cr1 N1 Cl3' _cell_volume 88.68212898 _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 2.22971167 2.22971167 2.22971167 1 N N1 1 0.00000000 0.00000000 0.00000000 1 Cl Cl2 1 0.00000000 2.22971167 0.00000000 1 Cl Cl3 1 0.00000000 0.00000000 2.22971167 1 Cl Cl4 1 2.22971167 0.00000000 0.00000000 1 [/CIF]
Cl3CrN
Pm-3m
221
cubic
m-3m
3,227.409015
false
[CIF] data_CaNbHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17678495 _cell_length_b 5.17678495 _cell_length_c 3.31866778 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaNbHg2 _chemical_formula_sum 'Ca1 Nb1 Hg2' _cell_volume 88.93731773 _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 Hg Hg1 1 0.00000000 2.58839248 1.65933389 1 Hg Hg2 1 2.58839248 0.00000000 1.65933389 1 Nb Nb3 1 2.58839248 2.58839248 0.00000000 1 [/CIF]
CaHg2Nb
P4/mmm
123
tetragonal
4/mmm
9,973.523905
false
[CIF] data_BePSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40768454 _cell_length_b 3.44224360 _cell_length_c 6.73293900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BePSe2 _chemical_formula_sum 'Be1 P1 Se2' _cell_volume 78.97791512 _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 P P1 1 1.70384227 0.00000000 3.36646950 1 Se Se2 1 1.70384227 1.72112180 0.00000000 1 Se Se3 1 0.00000000 1.72112180 3.36646950 1 [/CIF]
BePSe2
Pmmm
47
orthorhombic
mmm
4,161.043642
false
[CIF] data_LiVW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94785913 _cell_length_b 3.94785913 _cell_length_c 3.94785913 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiVW _chemical_formula_sum 'Li1 V1 W1' _cell_volume 43.50808254 _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 Li Li0 1 0.00000000 0.00000000 0.00000000 1 V V1 1 4.18733694 4.18733694 4.18733694 1 W W2 1 1.39577898 1.39577898 1.39577898 1 [/CIF]
LiVW
F-43m
216
cubic
-43m
9,225.634207
false
[CIF] data_Ta2TlGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91039537 _cell_length_b 2.91039537 _cell_length_c 9.51439258 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2TlGa _chemical_formula_sum 'Ta2 Tl1 Ga1' _cell_volume 80.59072242 _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 7.45918188 1 Ta Ta1 1 1.45519768 1.45519768 9.43978747 1 Ta Ta2 1 0.00000000 0.00000000 2.16033532 1 Tl Tl3 1 1.45519768 1.45519768 4.72667678 1 [/CIF]
GaTa2Tl
P4mm
99
tetragonal
4mm
13,104.563843
false
[CIF] data_NaSr2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85195851 _cell_length_b 3.85195851 _cell_length_c 9.48151864 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSr2Pd _chemical_formula_sum 'Na1 Sr2 Pd1' _cell_volume 140.68283271 _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 Pd Pd1 1 0.00000000 0.00000000 4.74075932 1 Sr Sr2 1 1.92597925 1.92597925 6.52817169 1 Sr Sr3 1 1.92597925 1.92597925 2.95334695 1 [/CIF]
NaPdSr2
P4/mmm
123
tetragonal
4/mmm
3,595.910274
false
[CIF] data_BaYSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49547198 _cell_length_b 5.49547198 _cell_length_c 5.49547198 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaYSe _chemical_formula_sum 'Ba1 Y1 Se1' _cell_volume 117.35456683 _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 1.94294275 1.94294275 1.94294275 1 Se Se1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 3.88588550 3.88588550 3.88588550 1 [/CIF]
BaSeY
F-43m
216
cubic
-43m
4,318.40587
false
[CIF] data_AlVSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.65466389 _cell_length_b 6.65466389 _cell_length_c 3.35208181 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlVSi _chemical_formula_sum 'Al3 V3 Si3' _cell_volume 128.55752157 _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 Al Al0 1 -1.27760293 2.21287319 0.00000000 1 Al Al1 1 2.04972901 3.55023479 0.00000000 1 Al Al2 1 2.55520587 0.00000000 0.00000000 1 Si Si3 1 3.32733194 1.92103599 1.67604091 1 Si Si4 1 -0.00000000 3.84207199 1.67604091 1 Si Si5 1 0.00000000 0.00000000 0.00000000 1 V V6 1 -2.40997997 4.17420776 1.67604091 1 V V7 1 0.91735197 1.58890022 1.67604091 1 V V8 1 4.81995994 0.00000000 1.67604091 1 [/CIF]
Al3Si3V3
P-62m
189
hexagonal
-6m2
4,108.108916
false
[CIF] data_AlFeIrW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32255053 _cell_length_b 4.32255053 _cell_length_c 4.32255053 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlFeIrW _chemical_formula_sum 'Al1 Fe1 Ir1 W1' _cell_volume 57.10908972 _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 Fe Fe1 1 4.58475718 4.58475719 4.58475719 1 Ir Ir2 1 3.05650479 3.05650479 3.05650479 1 W W3 1 1.52825239 1.52825240 1.52825240 1 [/CIF]
AlFeIrW
F-43m
216
cubic
-43m
13,342.780398
false
[CIF] data_ScAsBr4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.07086695 _cell_length_b 6.07086695 _cell_length_c 6.07086695 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScAsBr4 _chemical_formula_sum 'Sc1 As1 Br4' _cell_volume 158.21117192 _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 2.14637559 2.14637559 2.14637559 1 Br Br1 1 3.22058392 3.22058392 5.36491846 1 Br Br2 1 3.22058392 5.36491846 3.22058392 1 Br Br3 1 5.36491846 3.22058392 3.22058392 1 Br Br4 1 5.36491846 5.36491846 5.36491846 1 Sc Sc5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsBr4Sc
F-43m
216
cubic
-43m
4,612.797803
false
[CIF] data_Mg2CoMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.71710512 _cell_length_b 2.71710512 _cell_length_c 8.68683964 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 104.21219508 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2CoMo _chemical_formula_sum 'Mg2 Co1 Mo1' _cell_volume 62.16910520 _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 Mg Mg1 1 1.66884928 0.00000000 1.96399159 1 Mg Mg2 1 1.66884928 0.00000000 6.72284805 1 Mo Mo3 1 0.00000000 0.00000000 4.34341982 1 [/CIF]
CoMg2Mo
Cmmm
65
orthorhombic
mmm
5,435.577758
false
[CIF] data_Y2TiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91195170 _cell_length_b 4.91195170 _cell_length_c 3.59256843 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2TiIr _chemical_formula_sum 'Y2 Ti1 Ir1' _cell_volume 86.67886691 _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 2.45597585 2.45597585 0.00000000 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 0.00000000 2.45597585 1.79628422 1 Y Y3 1 2.45597585 0.00000000 1.79628422 1 [/CIF]
IrTiY2
P4/mmm
123
tetragonal
4/mmm
8,005.783009
false
[CIF] data_K2LaRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04918982 _cell_length_b 5.04918982 _cell_length_c 5.82793194 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2LaRe _chemical_formula_sum 'K2 La1 Re1' _cell_volume 148.57914922 _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 2.52459491 2.52459491 4.28519490 1 K K1 1 2.52459491 2.52459491 1.54273704 1 La La2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 0.00000000 0.00000000 2.91396597 1 [/CIF]
K2LaRe
P4/mmm
123
tetragonal
4/mmm
4,507.43237
false
[CIF] data_YMg2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72162461 _cell_length_b 4.72162461 _cell_length_c 4.72162461 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMg2B _chemical_formula_sum 'Y1 Mg2 B1' _cell_volume 74.43194552 _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 Mg Mg1 1 1.66934639 1.66934639 1.66934639 1 Mg Mg2 1 3.33869278 3.33869278 3.33869278 1 Y Y3 1 5.00803917 5.00803917 5.00803917 1 [/CIF]
BMg2Y
F-43m
216
cubic
-43m
3,309.108501
false
[CIF] data_Mg2V3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32471011 _cell_length_b 4.32471011 _cell_length_c 5.40568802 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2V3 _chemical_formula_sum 'Mg2 V3' _cell_volume 87.55795566 _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 2.16235506 1.24843627 0.81431079 1 Mg Mg1 1 -0.00000000 2.49687255 4.59137723 1 V V2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 2.16235506 1.24843627 3.42560353 1 V V4 1 -0.00000000 2.49687255 1.98008449 1 [/CIF]
Mg2V3
P-3m1
164
trigonal
-3m
3,820.210896
false
[CIF] data_LaMnZnHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05295328 _cell_length_b 5.05295328 _cell_length_c 5.05295328 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMnZnHg _chemical_formula_sum 'La1 Mn1 Zn1 Hg1' _cell_volume 91.22646589 _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 3.57297753 3.57297753 3.57297753 1 La La1 1 5.35946630 5.35946630 5.35946630 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 1.78648877 1.78648877 1.78648877 1 [/CIF]
HgLaMnZn
F-43m
216
cubic
-43m
8,369.701682
false
[CIF] data_Hg3W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45338058 _cell_length_b 5.45338058 _cell_length_c 5.37661204 _cell_angle_alpha 102.36490390 _cell_angle_beta 102.36490390 _cell_angle_gamma 31.46831948 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg3W _chemical_formula_sum 'Hg3 W1' _cell_volume 81.37868782 _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 7.47029389 -0.00000000 1.22601975 1 Hg Hg1 1 1.83164233 -0.00000000 4.01584816 1 Hg Hg2 1 4.65096811 -0.00000000 2.62093396 1 W W3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hg3W
C2/m
12
monoclinic
2/m
16,030.439063
false
[CIF] data_CaTlB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95852363 _cell_length_b 3.24286286 _cell_length_c 5.70490009 _cell_angle_alpha 90.00000000 _cell_angle_beta 107.18681165 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTlB2 _chemical_formula_sum 'Ca1 Tl1 B2' _cell_volume 69.96337316 _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 -1.01313274 0.00000000 4.86835062 1 B B1 1 -0.96076137 1.62143143 4.64373307 1 Ca Ca2 1 0.92678324 0.00000000 3.13866302 1 Tl Tl3 1 2.77057028 1.62143143 0.97464275 1 [/CIF]
B2CaTl
Pm
6
monoclinic
m
6,315.328931
false
[CIF] data_MnNiCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95355011 _cell_length_b 2.95355011 _cell_length_c 7.33624969 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnNiCl2 _chemical_formula_sum 'Mn1 Ni1 Cl2' _cell_volume 63.99746790 _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 6.61832936 1 Cl Cl1 1 1.47677506 1.47677506 2.50856668 1 Mn Mn2 1 0.00000000 0.00000000 3.90340167 1 Ni Ni3 1 1.47677506 1.47677506 5.31032651 1 [/CIF]
Cl2MnNi
P4mm
99
tetragonal
4mm
4,788.183763
false
[CIF] data_SrHf2Zr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.37926067 _cell_length_b 11.37926067 _cell_length_c 11.37926067 _cell_angle_alpha 16.67655641 _cell_angle_beta 16.67655641 _cell_angle_gamma 16.67655641 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrHf2Zr _chemical_formula_sum 'Sr1 Hf2 Zr1' _cell_volume 105.82695448 _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 8.08457975 1 Hf Hf1 1 -0.00000000 -0.00000000 25.57118753 1 Sr Sr2 1 -0.00000000 -0.00000000 -0.00000000 1 Zr Zr3 1 0.00000000 -0.00000000 16.82788364 1 [/CIF]
Hf2SrZr
R-3m
166
trigonal
-3m
8,407.656529
false
[CIF] data_SiAgSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29914845 _cell_length_b 3.29914845 _cell_length_c 7.16335385 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiAgSe2 _chemical_formula_sum 'Si1 Ag1 Se2' _cell_volume 77.96866892 _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 3.58167693 1 Se Se1 1 1.64957423 1.64957423 5.51827230 1 Se Se2 1 1.64957423 1.64957423 1.64508155 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgSe2Si
P4/mmm
123
tetragonal
4/mmm
6,258.780177
false
[CIF] data_NiAg2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45795373 _cell_length_b 4.45795373 _cell_length_c 3.15388094 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiAg2Pt _chemical_formula_sum 'Ni1 Ag2 Pt1' _cell_volume 62.67818438 _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 2.22897686 0.00000000 1.57694047 1 Ag Ag1 1 0.00000000 2.22897686 1.57694047 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 2.22897686 2.22897686 0.00000000 1 [/CIF]
Ag2NiPt
P4/mmm
123
tetragonal
4/mmm
12,438.873508
false
[CIF] data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.52654210 _cell_length_b 2.52654210 _cell_length_c 2.52654210 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C2 _cell_volume 11.40419468 _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 C C0 1 0.89326753 0.89326753 0.89326753 1 C C1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
C2
Fd-3m
227
cubic
m-3m
3,497.701892
false
[CIF] data_SrZn2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37653353 _cell_length_b 5.37653353 _cell_length_c 5.37653353 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZn2Bi _chemical_formula_sum 'Sr1 Zn2 Bi1' _cell_volume 109.89857937 _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 5.70267498 5.70267498 5.70267498 1 Sr Sr1 1 3.80178332 3.80178332 3.80178332 1 Zn Zn2 1 1.90089166 1.90089166 1.90089166 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiSrZn2
F-43m
216
cubic
-43m
6,457.304943
false
[CIF] data_SrAg3Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24981470 _cell_length_b 5.24981470 _cell_length_c 5.24981470 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrAg3Ir _chemical_formula_sum 'Sr1 Ag3 Ir1' _cell_volume 144.68780355 _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 Ir Ir1 1 2.62490735 2.62490735 2.62490735 1 Ag Ag2 1 0.00000000 2.62490735 0.00000000 1 Ag Ag3 1 0.00000000 0.00000000 2.62490735 1 Ag Ag4 1 2.62490735 0.00000000 0.00000000 1 [/CIF]
Ag3IrSr
Pm-3m
221
cubic
m-3m
6,925.520511
false
[CIF] data_Ba2TiB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93288144 _cell_length_b 7.50558642 _cell_length_c 7.50558642 _cell_angle_alpha 35.37108340 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2TiB _chemical_formula_sum 'Ba2 Ti1 B1' _cell_volume 128.25105326 _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 10.13882482 1 Ba Ba1 1 1.96644072 -0.00000000 1.64230689 1 Ba Ba2 1 0.00000000 -0.00000000 5.54609223 1 Ti Ti3 1 1.96644072 -0.00000000 11.12142467 1 [/CIF]
BBa2Ti
Amm2
38
orthorhombic
mm2
4,315.847658
false