Datasets:
n0w0f
/
nomad-structure-csv

Dataset card Data Studio Files 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_CoPtSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54561614 _cell_length_b 4.54561614 _cell_length_c 4.54561614 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoPtSe2 _chemical_formula_sum 'Co1 Pt1 Se2' _cell_volume 66.41455675 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 1.60711800 1.60711800 1.60711800 1 Se Se2 1 3.21423600 3.21423600 3.21423600 1 Se Se3 1 4.82135400 4.82135400 4.82135400 1 [/CIF]
CoPtSe2
F-43m
216
cubic
-43m
10,299.516231
false
[CIF] data_Hf2Sc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.27810309 _cell_length_b 7.27810309 _cell_length_c 7.27810309 _cell_angle_alpha 155.04427607 _cell_angle_beta 155.04427607 _cell_angle_gamma 35.58351637 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2Sc _chemical_formula_sum 'Hf2 Sc1' _cell_volume 68.54707327 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.54955166 1 Hf Hf1 1 0.00000000 0.00000000 9.31048004 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hf2Sc
I4/mmm
139
tetragonal
4/mmm
9,736.816647
false
[CIF] data_BaHg2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36574183 _cell_length_b 4.36574183 _cell_length_c 7.27677608 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaHg2Br _chemical_formula_sum 'Ba1 Hg2 Br1' _cell_volume 138.69318161 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.18287092 2.18287092 3.87989725 1 Br Br1 1 0.00000000 0.00000000 5.10874557 1 Hg Hg2 1 2.18287092 2.18287092 0.37182179 1 Hg Hg3 1 0.00000000 0.00000000 1.55469944 1 [/CIF]
BaBrHg2
P4mm
99
tetragonal
4mm
7,404.081533
false
[CIF] data_Ca2TaPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.33171388 _cell_length_b 6.33171388 _cell_length_c 5.37325058 _cell_angle_alpha 113.26245826 _cell_angle_beta 113.26245826 _cell_angle_gamma 29.76903398 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2TaPd _chemical_formula_sum 'Ca2 Ta1 Pd1' _cell_volume 97.61707613 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.08631052 0.00000000 0.06860327 1 Ca Ca1 1 1.05585928 0.00000000 3.47693613 1 Pd Pd2 1 4.80973606 0.00000000 2.38864511 1 Ta Ta3 1 9.11214835 -0.00000000 1.42197191 1 [/CIF]
Ca2PdTa
Cm
8
monoclinic
m
6,251.854541
false
[CIF] data_CaNbFePt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60246372 _cell_length_b 4.60246372 _cell_length_c 4.60246372 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaNbFePt _chemical_formula_sum 'Ca1 Nb1 Fe1 Pt1' _cell_volume 68.93759445 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 4.88164997 4.88164997 4.88164997 1 Nb Nb2 1 3.25443331 3.25443331 3.25443331 1 Pt Pt3 1 1.62721666 1.62721666 1.62721666 1 [/CIF]
CaFeNbPt
F-43m
216
cubic
-43m
9,247.54005
false
[CIF] data_SrY2Zr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57540324 _cell_length_b 3.57540324 _cell_length_c 10.44086912 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrY2Zr _chemical_formula_sum 'Sr1 Y2 Zr1' _cell_volume 133.47093735 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Y Y1 1 1.78770162 1.78770162 3.07808839 1 Y Y2 1 1.78770162 1.78770162 7.36278073 1 Zr Zr3 1 0.00000000 0.00000000 5.22043456 1 [/CIF]
SrY2Zr
P4/mmm
123
tetragonal
4/mmm
4,437.226073
false
[CIF] data_SnGeRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34282717 _cell_length_b 5.34282717 _cell_length_c 5.34282717 _cell_angle_alpha 143.57575051 _cell_angle_beta 143.57575051 _cell_angle_gamma 52.46216805 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnGeRu _chemical_formula_sum 'Sn1 Ge1 Ru1' _cell_volume 53.45333523 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 -0.00000000 0.00000000 0.25774286 1 Ru Ru1 1 -0.00000000 0.00000000 6.18261097 1 Sn Sn2 1 -0.00000000 0.00000000 3.14487797 1 [/CIF]
GeRuSn
I4mm
107
tetragonal
4mm
9,084.088612
false
[CIF] data_MgCrCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.59115644 _cell_length_b 2.59115644 _cell_length_c 7.53509845 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCrCo2 _chemical_formula_sum 'Mg1 Cr1 Co2' _cell_volume 50.59134194 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.29557822 1.29557822 0.22775581 1 Co Co1 1 0.00000000 0.00000000 1.81151520 1 Cr Cr2 1 1.29557822 1.29557822 3.51826564 1 Mg Mg3 1 0.00000000 0.00000000 5.74511102 1 [/CIF]
Co2CrMg
P4mm
99
tetragonal
4mm
6,373.080655
false
[CIF] data_FeTcBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43687738 _cell_length_b 4.43687738 _cell_length_c 5.33644855 _cell_angle_alpha 104.28533376 _cell_angle_beta 104.28533376 _cell_angle_gamma 40.55562561 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeTcBr2 _chemical_formula_sum 'Fe1 Tc1 Br2' _cell_volume 65.89819935 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.61908559 -0.00000000 1.22676124 1 Br Br1 1 1.30092705 0.00000000 3.92174322 1 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 3.46000632 -0.00000000 2.57425223 1 [/CIF]
Br2FeTc
C2/m
12
monoclinic
2/m
7,926.435708
false
[CIF] data_NbCr2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.56821830 _cell_length_b 8.56821830 _cell_length_c 8.56821830 _cell_angle_alpha 18.59941242 _cell_angle_beta 18.59941242 _cell_angle_gamma 18.59941242 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCr2Cu _chemical_formula_sum 'Nb1 Cr2 Cu1' _cell_volume 55.90397044 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.32555802 1 Cr Cr1 1 -0.00000000 -0.00000000 18.75999959 1 Cu Cu2 1 -0.00000000 -0.00000000 12.43802747 1 Nb Nb3 1 -0.00000000 0.00000000 6.35619473 1 [/CIF]
Cr2CuNb
R3m
160
trigonal
3m
7,736.094526
false
[CIF] data_YScPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40327242 _cell_length_b 3.40327242 _cell_length_c 6.89360681 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YScPd2 _chemical_formula_sum 'Y1 Sc1 Pd2' _cell_volume 79.84356823 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.70163621 1.70163621 5.32415899 1 Pd Pd1 1 1.70163621 1.70163621 1.56944782 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 0.00000000 0.00000000 3.44680340 1 [/CIF]
Pd2ScY
P4/mmm
123
tetragonal
4/mmm
7,210.545248
false
[CIF] data_Sc2BrCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74446219 _cell_length_b 4.74446219 _cell_length_c 4.74446219 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2BrCl _chemical_formula_sum 'Sc2 Br1 Cl1' _cell_volume 75.51721636 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.35484139 3.35484139 3.35484139 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 Sc Sc2 1 1.67742070 1.67742070 1.67742070 1 Sc Sc3 1 5.03226209 5.03226209 5.03226209 1 [/CIF]
BrClSc2
Fm-3m
225
cubic
m-3m
4,513.641261
false
[CIF] data_La2MgTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.08712294 _cell_length_b 4.08712294 _cell_length_c 7.35533088 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2MgTe _chemical_formula_sum 'La2 Mg1 Te1' _cell_volume 122.86766839 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.04356147 2.04356147 5.47617374 1 La La1 1 2.04356147 2.04356147 1.87915715 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 0.00000000 0.00000000 3.67766544 1 [/CIF]
La2MgTe
P4/mmm
123
tetragonal
4/mmm
5,807.553373
false
[CIF] data_SrHf2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09275100 _cell_length_b 5.09275100 _cell_length_c 5.09275100 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrHf2Si _chemical_formula_sum 'Sr1 Hf2 Si1' _cell_volume 93.39902259 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.60111877 3.60111877 3.60111877 1 Hf Hf1 1 5.40167815 5.40167815 5.40167815 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 1.80055938 1.80055938 1.80055938 1 [/CIF]
Hf2SiSr
F-43m
216
cubic
-43m
8,403.864593
false
[CIF] data_Sc2ReRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91159987 _cell_length_b 2.91159987 _cell_length_c 8.63739070 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2ReRh _chemical_formula_sum 'Sc2 Re1 Rh1' _cell_volume 73.22273514 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.45579993 1.45579993 4.56354862 1 Rh Rh1 1 0.00000000 0.00000000 6.27078538 1 Sc Sc2 1 1.45579993 1.45579993 8.26969879 1 Sc Sc3 1 0.00000000 0.00000000 2.48944396 1 [/CIF]
ReRhSc2
P4mm
99
tetragonal
4mm
8,595.481936
false
[CIF] data_K2BePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83511481 _cell_length_b 3.83511481 _cell_length_c 10.28251204 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2BePb _chemical_formula_sum 'K2 Be1 Pb1' _cell_volume 151.23627298 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.77475943 1 K K1 1 1.91755741 1.91755741 9.55984948 1 K K2 1 0.00000000 0.00000000 3.27335370 1 Pb Pb3 1 1.91755741 1.91755741 6.09831749 1 [/CIF]
BeK2Pb
P4mm
99
tetragonal
4mm
3,232.539882
false
[CIF] data_TlFeBiPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86590486 _cell_length_b 4.86590486 _cell_length_c 4.86590486 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlFeBiPd _chemical_formula_sum 'Tl1 Fe1 Bi1 Pd1' _cell_volume 81.46589640 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 1.72035716 1.72035716 1.72035716 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 3.44071432 3.44071432 3.44071432 1 Tl Tl3 1 5.16107148 5.16107148 5.16107148 1 [/CIF]
BiFePdTl
F-43m
216
cubic
-43m
11,733.178993
false
[CIF] data_Zn2AgOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41415726 _cell_length_b 4.41415726 _cell_length_c 4.41415726 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2AgOs _chemical_formula_sum 'Zn2 Ag1 Os1' _cell_volume 60.81747785 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 3.12128053 3.12128053 3.12128053 1 Os Os1 1 4.68192080 4.68192080 4.68192080 1 Zn Zn2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 1.56064027 1.56064027 1.56064027 1 [/CIF]
AgOsZn2
F-43m
216
cubic
-43m
11,709.393752
false
[CIF] data_BaNb2Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02634310 _cell_length_b 3.02634310 _cell_length_c 10.19825113 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNb2Cd _chemical_formula_sum 'Ba1 Nb2 Cd1' _cell_volume 93.40325863 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.09912556 1 Cd Cd1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 1.51317155 1.51317155 2.12272977 1 Nb Nb3 1 1.51317155 1.51317155 8.07552136 1 [/CIF]
BaCdNb2
P4/mmm
123
tetragonal
4/mmm
7,743.295716
false
[CIF] data_SiSbAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27680600 _cell_length_b 3.27680600 _cell_length_c 8.35055460 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 110.69869181 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiSbAs2 _chemical_formula_sum 'Si1 Sb1 As2' _cell_volume 83.87612078 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.86309766 0.00000000 1.71912575 1 As As1 1 1.86309766 0.00000000 6.63142885 1 Sb Sb2 1 0.00000000 0.00000000 4.17527730 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2SbSi
Cmmm
65
orthorhombic
mmm
5,933.092631
false
[CIF] data_KMnPtAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84816104 _cell_length_b 4.84816104 _cell_length_c 4.84816104 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMnPtAu _chemical_formula_sum 'K1 Mn1 Pt1 Au1' _cell_volume 80.57793155 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.71408378 1.71408378 1.71408377 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Mn Mn2 1 5.14225133 5.14225133 5.14225133 1 Pt Pt3 1 3.42816755 3.42816755 3.42816755 1 [/CIF]
AuKMnPt
F-43m
216
cubic
-43m
10,017.213088
false
[CIF] data_SrIrW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82043020 _cell_length_b 2.82043020 _cell_length_c 9.49905578 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.65365680 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrIrW2 _chemical_formula_sum 'Sr1 Ir1 W2' _cell_volume 75.53187098 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 0.00000000 0.00000000 4.74952789 1 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 1.96535851 0.00000000 2.82091664 1 W W3 1 1.96535851 0.00000000 6.67813914 1 [/CIF]
IrSrW2
Cmmm
65
orthorhombic
mmm
14,235.411633
false
[CIF] data_SiAg2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34798846 _cell_length_b 4.34798846 _cell_length_c 4.36368889 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiAg2Br _chemical_formula_sum 'Si1 Ag2 Br1' _cell_volume 82.49555439 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.17399423 2.18184444 1 Ag Ag1 1 2.17399423 0.00000000 2.18184444 1 Br Br2 1 2.17399423 2.17399423 0.00000000 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2BrSi
P4/mmm
123
tetragonal
4/mmm
6,516.223908
false
[CIF] data_AgBiRhAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78893324 _cell_length_b 4.78893324 _cell_length_c 4.78893324 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgBiRhAu _chemical_formula_sum 'Ag1 Bi1 Rh1 Au1' _cell_volume 77.66070900 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.07943076 5.07943076 5.07943076 1 Au Au1 1 3.38628717 3.38628717 3.38628717 1 Bi Bi2 1 1.69314359 1.69314359 1.69314359 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgAuBiRh
F-43m
216
cubic
-43m
13,186.703768
false
[CIF] data_LaTiTe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.36850791 _cell_length_b 6.36850791 _cell_length_c 6.36850791 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTiTe4 _chemical_formula_sum 'La1 Ti1 Te4' _cell_volume 182.64091746 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.25160757 2.25160757 2.25160757 1 Te Te1 1 3.37296055 3.37296055 5.63346971 1 Te Te2 1 3.37296055 5.63346971 3.37296055 1 Te Te3 1 5.63346971 3.37296055 3.37296055 1 Te Te4 1 5.63346971 5.63346971 5.63346971 1 Ti Ti5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaTe4Ti
F-43m
216
cubic
-43m
6,338.569356
false
[CIF] data_CrSiB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48331125 _cell_length_b 3.48331125 _cell_length_c 3.04361946 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrSiB _chemical_formula_sum 'Cr1 Si1 B1' _cell_volume 31.98199475 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.29322589 1 Cr Cr1 1 1.74165562 1.00554534 0.54730164 1 Si Si2 1 0.00000000 2.01109069 2.20309193 1 [/CIF]
BCrSi
P3m1
156
trigonal
3m
4,719.240138
false
[CIF] data_Eu(BOs)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.57481095 _cell_length_b 7.57481095 _cell_length_c 4.01543473 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Eu(BOs)4 _chemical_formula_sum 'Eu2 B8 Os8' _cell_volume 230.39665396 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 5.92283709 2.54459390 3.56368114 1 B B1 1 1.65197386 5.03021705 3.56368114 1 B B2 1 5.03021705 5.92283709 0.45175359 1 B B3 1 2.54459390 1.65197386 0.45175359 1 B B4 1 1.24281158 2.13543162 1.55596377 1 B B5 1 6.33199937 5.43937933 1.55596377 1 B B6 1 2.13543162 6.33199937 2.45947096 1 B B7 1 5.43937933 1.24281158 2.45947096 1 Eu Eu8 1 0.00000000 0.00000000 0.00000000 1 Eu Eu9 1 3.78740547 3.78740547 2.00771736 1 Os Os10 1 1.10323008 2.96195734 3.55654057 1 Os Os11 1 6.47158087 4.61285361 3.55654057 1 Os Os12 1 2.96195734 6.47158087 0.45889416 1 Os Os13 1 4.61285361 1.10323008 0.45889416 1 Os Os14 1 6.74936282 2.68417539 1.54882320 1 Os Os15 1 0.82544813 4.89063556 1.54882320 1 Os Os16 1 4.89063556 6.74936282 2.46661153 1 Os Os17 1 2.68417539 0.82544813 2.46661153 1 [/CIF]
B8Eu2Os8
P4_2/n
86
tetragonal
4/m
13,782.213147
false
[CIF] data_LaHgAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16311483 _cell_length_b 4.16311483 _cell_length_c 6.07879012 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaHgAs2 _chemical_formula_sum 'La1 Hg1 As2' _cell_volume 105.35470321 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.08155741 2.08155741 5.63636094 1 As As1 1 0.00000000 0.00000000 1.99689611 1 Hg Hg2 1 2.08155741 2.08155741 2.59961380 1 La La3 1 0.00000000 0.00000000 4.96410444 1 [/CIF]
As2HgLa
P4mm
99
tetragonal
4mm
7,713.007394
false
[CIF] data_LiZrHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53597132 _cell_length_b 3.53597132 _cell_length_c 6.68010462 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZrHg2 _chemical_formula_sum 'Li1 Zr1 Hg2' _cell_volume 83.52197049 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.63607365 1 Hg Hg1 1 1.76798566 1.76798566 1.97821024 1 Li Li2 1 0.00000000 0.00000000 3.08521707 1 Zr Zr3 1 1.76798566 1.76798566 5.00076059 1 [/CIF]
Hg2LiZr
P4mm
99
tetragonal
4mm
9,927.709743
false
[CIF] data_ZrCd2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16377809 _cell_length_b 3.16377809 _cell_length_c 7.87397239 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCd2Cu _chemical_formula_sum 'Zr1 Cd2 Cu1' _cell_volume 78.81446209 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.03510815 1 Cd Cd1 1 1.58188905 1.58188905 2.23162354 1 Cu Cu2 1 0.00000000 0.00000000 3.91848488 1 Zr Zr3 1 1.58188905 1.58188905 5.62574201 1 [/CIF]
Cd2CuZr
P4mm
99
tetragonal
4mm
7,997.610193
false
[CIF] data_TlAgIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.50525698 _cell_length_b 6.50525698 _cell_length_c 6.50525698 _cell_angle_alpha 152.97369053 _cell_angle_beta 152.97369053 _cell_angle_gamma 38.59306983 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlAgIr _chemical_formula_sum 'Tl1 Ag1 Ir1' _cell_volume 56.74710524 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.13612341 1 Ir Ir1 1 0.00000000 -0.00000000 4.10026807 1 Tl Tl2 1 0.00000000 0.00000000 8.32279965 1 [/CIF]
AgIrTl
I4mm
107
tetragonal
4mm
14,761.804123
false
[CIF] data_HfPtSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58590059 _cell_length_b 3.91396634 _cell_length_c 6.95861379 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.45056891 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfPtSe2 _chemical_formula_sum 'Hf1 Pt1 Se2' _cell_volume 94.57500744 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.92502845 0.00000000 3.73846457 1 Pt Pt1 1 0.82898304 1.95698317 4.71654990 1 Se Se2 1 1.57605669 0.00000000 6.12594774 1 Se Se3 1 1.35057776 1.95698317 2.26520325 1 [/CIF]
HfPtSe2
Pm
6
monoclinic
m
9,331.921557
false
[CIF] data_La2GeSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.28238053 _cell_length_b 6.28238053 _cell_length_c 4.60775773 _cell_angle_alpha 95.05767703 _cell_angle_beta 95.05767703 _cell_angle_gamma 41.55507917 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2GeSb _chemical_formula_sum 'La2 Ge1 Sb1' _cell_volume 120.09775383 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.16502843 -0.00000000 3.87798020 1 La La1 1 11.22290000 -0.00000000 4.07412946 1 La La2 1 2.81802024 -0.00000000 1.65883203 1 Sb Sb3 1 6.07690261 -0.00000000 1.85713036 1 [/CIF]
GeLa2Sb
Cm
8
monoclinic
m
6,529.053946
false
[CIF] data_ReMo2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.98349990 _cell_length_b 4.10449647 _cell_length_c 5.84929684 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReMo2Pb _chemical_formula_sum 'Re1 Mo2 Pb1' _cell_volume 71.62911339 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.49174995 2.05224823 1.20463613 1 Mo Mo1 1 1.49174995 2.05224823 4.64466071 1 Pb Pb2 1 0.00000000 0.00000000 2.92464842 1 Re Re3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mo2PbRe
Pmmm
47
orthorhombic
mmm
13,569.31985
false
[CIF] data_NaSbCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26221540 _cell_length_b 5.26221540 _cell_length_c 5.26221540 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSbCl _chemical_formula_sum 'Na1 Sb1 Cl1' _cell_volume 103.03644466 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.72094819 3.72094819 3.72094819 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 5.58142229 5.58142229 5.58142229 1 [/CIF]
ClNaSb
F-43m
216
cubic
-43m
2,904.154343
false
[CIF] data_Ta2SnB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10610056 _cell_length_b 4.10610056 _cell_length_c 3.90408944 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2SnB _chemical_formula_sum 'Ta2 Sn1 B1' _cell_volume 65.82318927 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 2.05305028 2.05305028 0.00000000 1 Ta Ta2 1 2.05305028 0.00000000 1.95204472 1 Ta Ta3 1 0.00000000 2.05305028 1.95204472 1 [/CIF]
BSnTa2
P4/mmm
123
tetragonal
4/mmm
12,397.101038
false
[CIF] data_BeCr2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75663928 _cell_length_b 4.75663928 _cell_length_c 4.75663928 _cell_angle_alpha 143.35963627 _cell_angle_beta 129.09420957 _cell_angle_gamma 64.34224289 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCr2W _chemical_formula_sum 'Be1 Cr2 W1' _cell_volume 49.22485167 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.10557241 1 Cr Cr1 1 1.49513950 -0.00000000 0.08467778 1 Cr Cr2 1 -0.00000000 0.00000000 1.92915096 1 W W3 1 1.49513950 0.00000000 3.95953687 1 [/CIF]
BeCr2W
Imm2
44
orthorhombic
mm2
10,013.758054
false
[CIF] data_KLiAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.55493692 _cell_length_b 6.55493692 _cell_length_c 6.55493692 _cell_angle_alpha 147.32310832 _cell_angle_beta 147.32310832 _cell_angle_gamma 46.88560467 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLiAu _chemical_formula_sum 'K1 Li1 Au1' _cell_volume 81.79448609 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.60463654 1 K K1 1 -0.00000000 0.00000000 4.13024285 1 Li Li2 1 0.00000000 0.00000000 7.29287521 1 [/CIF]
AuKLi
I4mm
107
tetragonal
4mm
4,933.348911
false
[CIF] data_Y2CrCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16857068 _cell_length_b 5.16857068 _cell_length_c 6.01026089 _cell_angle_alpha 102.19101831 _cell_angle_beta 102.19101831 _cell_angle_gamma 37.69557645 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2CrCd _chemical_formula_sum 'Y2 Cr1 Cd1' _cell_volume 95.70097983 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.22087956 -0.00000000 2.92936299 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 6.92642783 -0.00000000 1.36706598 1 Y Y3 1 1.51533129 0.00000000 4.49166001 1 [/CIF]
CdCrY2
C2/m
12
monoclinic
2/m
5,937.950559
false
[CIF] data_BaGeRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17610795 _cell_length_b 3.17610795 _cell_length_c 7.94706074 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaGeRu2 _chemical_formula_sum 'Ba1 Ge1 Ru2' _cell_volume 80.16726033 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.58805398 1.58805398 3.92699111 1 Ge Ge1 1 0.00000000 0.00000000 6.52751121 1 Ru Ru2 1 1.58805398 1.58805398 0.02100090 1 Ru Ru3 1 0.00000000 0.00000000 1.44508780 1 [/CIF]
BaGeRu2
P4mm
99
tetragonal
4mm
8,536.150172
false
[CIF] data_NbInRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.92952625 _cell_length_b 4.04604266 _cell_length_c 5.81394740 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbInRe2 _chemical_formula_sum 'Nb1 In1 Re2' _cell_volume 68.91264982 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.46476313 2.02302133 2.88650738 1 Nb Nb1 1 0.00000000 0.00000000 4.50951086 1 Re Re2 1 1.46476313 2.02302133 0.06923597 1 Re Re3 1 0.00000000 0.00000000 1.25566688 1 [/CIF]
InNbRe2
Pmm2
25
orthorhombic
mm2
13,979.181566
false
[CIF] data_HfSn4Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.05271305 _cell_length_b 6.05271305 _cell_length_c 6.05271305 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSn4Cl _chemical_formula_sum 'Hf1 Sn4 Cl1' _cell_volume 156.79610025 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 2.13995722 2.13995722 2.13995722 1 Sn Sn2 1 5.35241960 3.20740928 3.20740928 1 Sn Sn3 1 3.20740928 3.20740928 5.35241960 1 Sn Sn4 1 3.20740928 5.35241960 3.20740928 1 Sn Sn5 1 5.35241960 5.35241960 5.35241960 1 [/CIF]
ClHfSn4
F-43m
216
cubic
-43m
7,294.512287
false
[CIF] data_TiSiCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.96104832 _cell_length_b 2.96104832 _cell_length_c 9.13960980 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiSiCl2 _chemical_formula_sum 'Ti1 Si1 Cl2' _cell_volume 80.13433618 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.48052416 1.48052416 6.04221386 1 Cl Cl1 1 1.48052416 1.48052416 3.09739594 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 Ti Ti3 1 0.00000000 0.00000000 4.56980490 1 [/CIF]
Cl2SiTi
P4/mmm
123
tetragonal
4/mmm
3,043.193319
false
[CIF] data_CaCdFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93549695 _cell_length_b 4.93549695 _cell_length_c 4.93549695 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCdFe _chemical_formula_sum 'Ca1 Cd1 Fe1' _cell_volume 85.01149723 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.23488504 5.23488504 5.23488504 1 Fe Fe2 1 1.74496168 1.74496168 1.74496168 1 [/CIF]
CaCdFe
F-43m
216
cubic
-43m
4,069.411282
false
[CIF] data_KLiMnMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60502641 _cell_length_b 4.60502641 _cell_length_c 4.60502641 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLiMnMo _chemical_formula_sum 'K1 Li1 Mn1 Mo1' _cell_volume 69.05281331 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.25624540 3.25624540 3.25624540 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Mn Mn2 1 4.88436810 4.88436810 4.88436810 1 Mo Mo3 1 1.62812270 1.62812270 1.62812270 1 [/CIF]
KLiMnMo
F-43m
216
cubic
-43m
4,735.826672
false
[CIF] data_ErAlB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21067663 _cell_length_b 4.21067663 _cell_length_c 4.21067663 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErAlB2 _chemical_formula_sum 'Er1 Al1 B2' _cell_volume 52.78866421 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 B B1 1 1.48869900 1.48869900 1.48869900 1 B B2 1 4.46609700 4.46609700 4.46609700 1 Er Er3 1 2.97739800 2.97739800 2.97739800 1 [/CIF]
AlB2Er
Fm-3m
225
cubic
m-3m
6,790.249075
false
[CIF] data_ZrTl2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57008338 _cell_length_b 4.57008338 _cell_length_c 4.75096956 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTl2Sn _chemical_formula_sum 'Zr1 Tl2 Sn1' _cell_volume 99.22714488 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.28504169 2.28504169 0.00000000 1 Tl Tl1 1 2.28504169 0.00000000 2.37548478 1 Tl Tl2 1 0.00000000 2.28504169 2.37548478 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
SnTl2Zr
P4/mmm
123
tetragonal
4/mmm
10,353.784925
false
[CIF] data_Gd2Co3Si5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.89196170 _cell_length_b 7.89196170 _cell_length_c 7.89196170 _cell_angle_alpha 105.49737275 _cell_angle_beta 88.95303179 _cell_angle_gamma 138.68382984 _symmetry_Int_Tables_number 1 _chemical_formula_structural Gd2Co3Si5 _chemical_formula_sum 'Gd4 Co6 Si10' _cell_volume 299.59050668 _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 Co Co0 1 4.77710100 0.00000000 1.39210425 1 Co Co1 1 0.00000000 5.63121200 1.39210425 1 Co Co2 1 3.73163340 -4.08544470 2.78420850 1 Co Co3 1 1.04546760 1.54576730 2.78420850 1 Co Co4 1 3.73163340 4.08544470 -0.00000000 1 Co Co5 1 1.04546760 9.71665670 0.00000000 1 Gd Gd6 1 2.53760336 7.13087933 -0.00000000 1 Gd Gd7 1 2.53760336 4.13154467 2.78420850 1 Gd Gd8 1 2.23949764 1.49966733 0.00000000 1 Gd Gd9 1 2.23949764 -1.49966733 2.78420850 1 Si Si10 1 6.26950442 1.14506726 -0.00000000 1 Si Si11 1 4.77710100 -2.57367460 1.39210425 1 Si Si12 1 0.00000000 3.05753740 1.39210425 1 Si Si13 1 1.49240342 4.48614474 -0.00000000 1 Si Si14 1 -0.00000000 0.00000000 1.39210425 1 Si Si15 1 -0.00000000 -0.00000000 4.17631275 1 Si Si16 1 3.28469758 1.14506726 2.78420850 1 Si Si17 1 4.77710100 2.57367460 1.39210425 1 Si Si18 1 0.00000000 8.20488660 1.39210425 1 Si Si19 1 -1.49240342 4.48614474 2.78420850 1 [/CIF]
Co6Gd4Si10
Ibam
72
orthorhombic
mmm
7,002.942221
false
[CIF] data_LaNiB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62020995 _cell_length_b 5.62020995 _cell_length_c 5.62020995 _cell_angle_alpha 149.48818306 _cell_angle_beta 149.48818306 _cell_angle_gamma 43.69321710 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaNiB _chemical_formula_sum 'La1 Ni1 B1' _cell_volume 45.63462349 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.56563627 1 La La1 1 0.00000000 -0.00000000 3.51632170 1 Ni Ni2 1 0.00000000 0.00000000 6.35121354 1 [/CIF]
BLaNi
I4mm
107
tetragonal
4mm
7,583.55618
false
[CIF] data_TiTlBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38464178 _cell_length_b 5.38464178 _cell_length_c 5.38464178 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiTlBi2 _chemical_formula_sum 'Ti1 Tl1 Bi2' _cell_volume 110.39653769 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.80751672 3.80751672 3.80751672 1 Bi Bi1 1 5.71127508 5.71127508 5.71127508 1 Ti Ti2 1 0.00000000 -0.00000000 0.00000000 1 Tl Tl3 1 1.90375836 1.90375836 1.90375836 1 [/CIF]
Bi2TiTl
F-43m
216
cubic
-43m
10,081.038207
false
[CIF] data_SrSb2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.86114389 _cell_length_b 3.86114389 _cell_length_c 7.08875881 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrSb2Pd _chemical_formula_sum 'Sr1 Sb2 Pd1' _cell_volume 105.68227940 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.93057194 1.93057194 5.87049160 1 Sb Sb1 1 0.00000000 0.00000000 6.81181525 1 Sb Sb2 1 1.93057194 1.93057194 1.52751779 1 Sr Sr3 1 0.00000000 0.00000000 3.51207246 1 [/CIF]
PdSb2Sr
P4mm
99
tetragonal
4mm
6,875.363984
false
[CIF] data_CaGa2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.57221849 _cell_length_b 6.57221849 _cell_length_c 6.57221849 _cell_angle_alpha 143.71557219 _cell_angle_beta 143.71557219 _cell_angle_gamma 52.25282407 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaGa2Br _chemical_formula_sum 'Ca1 Ga2 Br1' _cell_volume 98.84611735 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.90069995 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Ga Ga2 1 2.04643543 -0.00000000 2.95034998 1 Ga Ga3 1 -0.00000000 2.04643543 2.95034998 1 [/CIF]
BrCaGa2
I4/mmm
139
tetragonal
4/mmm
4,358.191708
false
[CIF] data_Mg2MoIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14923813 _cell_length_b 5.14923813 _cell_length_c 2.80960990 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 118.10401254 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2MoIr _chemical_formula_sum 'Mg2 Mo1 Ir1' _cell_volume 65.71231781 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.64804632 0.00000000 0.00000000 1 Mg Mg1 1 1.32402316 -2.20808197 1.40480495 1 Mg Mg2 1 1.32402316 2.20808198 1.40480495 1 Mo Mo3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrMg2Mo
Cmmm
65
orthorhombic
mmm
8,510.550065
false
[CIF] data_ScTePt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.50175288 _cell_length_b 3.74131519 _cell_length_c 5.77926751 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.54192869 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTePt2 _chemical_formula_sum 'Sc1 Te1 Pt2' _cell_volume 75.64061447 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 1.51856628 1.87065759 4.42370066 1 Pt Pt1 1 1.72687336 1.87065759 1.34988025 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 -0.12815662 0.00000000 2.88679045 1 [/CIF]
Pt2ScTe
P2/m
10
monoclinic
2/m
12,353.482929
false
[CIF] data_Mg2InSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38972114 _cell_length_b 4.58576179 _cell_length_c 6.31569648 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2InSn _chemical_formula_sum 'Mg2 In1 Sn1' _cell_volume 98.17405141 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.82158800 1 Mg Mg1 1 1.69486057 2.29288090 6.28812032 1 Mg Mg2 1 0.00000000 0.00000000 1.60891856 1 Sn Sn3 1 1.69486057 2.29288090 3.07061432 1 [/CIF]
InMg2Sn
Pmm2
25
orthorhombic
mm2
4,772.148694
false
[CIF] data_PdPb2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19128045 _cell_length_b 5.19128045 _cell_length_c 3.59812510 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.42564778 _symmetry_Int_Tables_number 1 _chemical_formula_structural PdPb2Se _chemical_formula_sum 'Pd1 Pb2 Se1' _cell_volume 96.93727052 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.81241898 1.85808655 1.79906255 1 Pb Pb1 1 1.81241898 -1.85808655 1.79906255 1 Pd Pd2 1 3.62483796 -0.00000000 0.00000000 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pb2PdSe
Cmmm
65
orthorhombic
mmm
10,274.253814
false
[CIF] data_AlVFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.85994517 _cell_length_b 2.85994517 _cell_length_c 5.69844559 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlVFe2 _chemical_formula_sum 'Al1 V1 Fe2' _cell_volume 46.60921821 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.42997258 1.42997258 1.47885513 1 Fe Fe2 1 1.42997258 1.42997258 4.21959046 1 V V3 1 0.00000000 0.00000000 2.84922280 1 [/CIF]
AlFe2V
P4/mmm
123
tetragonal
4/mmm
6,755.31315
false
[CIF] data_AcIn2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53266509 _cell_length_b 5.53266509 _cell_length_c 5.53266509 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AcIn2Bi _chemical_formula_sum 'Ac1 In2 Bi1' _cell_volume 119.75348102 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ac Ac0 1 3.91218500 3.91218500 3.91218500 1 Bi Bi1 1 0.00000000 0.00000000 0.00000000 1 In In2 1 1.95609250 1.95609250 1.95609250 1 In In3 1 5.86827750 5.86827750 5.86827750 1 [/CIF]
AcBiIn2
Fm-3m
225
cubic
m-3m
9,229.644318
false
[CIF] data_BaCo2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.07016902 _cell_length_b 6.07016902 _cell_length_c 6.07016902 _cell_angle_alpha 37.55637816 _cell_angle_beta 37.55637816 _cell_angle_gamma 37.55637816 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCo2P _chemical_formula_sum 'Ba1 Co2 P1' _cell_volume 74.53522376 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.45287311 1 Co Co1 1 0.00000000 -0.00000000 11.67252869 1 Co Co2 1 0.00000000 0.00000000 5.23321753 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaCo2P
R-3m
166
trigonal
-3m
6,377.582077
false
[CIF] data_MnPbSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06282434 _cell_length_b 3.06282434 _cell_length_c 8.54080520 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnPbSe2 _chemical_formula_sum 'Mn1 Pb1 Se2' _cell_volume 80.12037918 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 0.00000000 0.00000000 4.27040260 1 Se Se2 1 1.53141217 1.53141217 7.09320884 1 Se Se3 1 1.53141217 1.53141217 1.44759636 1 [/CIF]
MnPbSe2
P4/mmm
123
tetragonal
4/mmm
8,705.934758
false
[CIF] data_CaGaSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03592803 _cell_length_b 4.03592803 _cell_length_c 6.10244994 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaGaSe2 _chemical_formula_sum 'Ca1 Ga1 Se2' _cell_volume 99.40106826 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.30651103 1 Ga Ga1 1 2.01796401 2.01796401 5.08773078 1 Se Se2 1 0.00000000 0.00000000 5.39264305 1 Se Se3 1 2.01796401 2.01796401 2.46923999 1 [/CIF]
CaGaSe2
P4mm
99
tetragonal
4mm
4,472.398408
false
[CIF] data_Be2GaFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37883649 _cell_length_b 4.37883649 _cell_length_c 4.37883649 _cell_angle_alpha 135.42195994 _cell_angle_beta 135.42195994 _cell_angle_gamma 64.87527155 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2GaFe _chemical_formula_sum 'Be2 Ga1 Fe1' _cell_volume 40.77400808 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Be Be1 1 1.66080006 0.00000000 1.84781596 1 Fe Fe2 1 -0.00000000 0.00000000 3.69563192 1 Ga Ga3 1 0.00000000 1.66080006 1.84781596 1 [/CIF]
Be2FeGa
I-4m2
119
tetragonal
-42m
5,847.860962
false
[CIF] data_ZnSi2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.70172362 _cell_length_b 2.70172362 _cell_length_c 7.35730878 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnSi2Ni _chemical_formula_sum 'Zn1 Si2 Ni1' _cell_volume 53.70328137 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Si Si1 1 1.35086181 1.35086181 1.56349168 1 Si Si2 1 1.35086181 1.35086181 5.79381710 1 Zn Zn3 1 0.00000000 0.00000000 3.67865439 1 [/CIF]
NiSi2Zn
P4/mmm
123
tetragonal
4/mmm
5,573.269642
false
[CIF] data_BaReTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.51808866 _cell_length_b 6.51808866 _cell_length_c 6.51808866 _cell_angle_alpha 151.32292206 _cell_angle_beta 146.53347723 _cell_angle_gamma 44.63912693 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaReTc _chemical_formula_sum 'Ba1 Re1 Tc1' _cell_volume 73.06448526 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.05137034 1 Re Re1 1 -0.00000000 -0.00000000 3.27546301 1 Tc Tc2 1 0.00000000 -0.00000000 8.79218309 1 [/CIF]
BaReTc
Imm2
44
orthorhombic
mm2
9,600.812939
false
[CIF] data_KCrCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99400080 _cell_length_b 4.99400080 _cell_length_c 2.49570373 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 96.22471051 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCrCo2 _chemical_formula_sum 'K1 Cr1 Co2' _cell_volume 61.87599452 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66717734 1.85890578 1.24785186 1 Co Co1 1 1.66717734 -1.85890578 1.24785186 1 Cr Cr2 1 3.33435468 -0.00000000 0.00000000 1 K K3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co2CrK
Cmmm
65
orthorhombic
mmm
5,607.815009
false
[CIF] data_KCa2Cr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.76205659 _cell_length_b 5.76205659 _cell_length_c 3.71529422 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 94.85199508 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCa2Cr _chemical_formula_sum 'K1 Ca2 Cr1' _cell_volume 122.91055116 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.94913636 2.12160116 1.85764711 1 Ca Ca1 1 1.94913636 -2.12160116 1.85764711 1 Cr Cr2 1 3.89827272 -0.00000000 0.00000000 1 K K3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ca2CrK
Cmmm
65
orthorhombic
mmm
2,313.617315
false
[CIF] data_MnB3Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00254401 _cell_length_b 4.00254401 _cell_length_c 4.00254401 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnB3Mo _chemical_formula_sum 'Mn1 B3 Mo1' _cell_volume 64.12219016 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.00127201 2.00127201 2.00127201 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 B B2 1 2.00127201 0.00000000 2.00127201 1 B B3 1 2.00127201 2.00127201 0.00000000 1 B B4 1 0.00000000 2.00127201 2.00127201 1 [/CIF]
B3MnMo
Pm-3m
221
cubic
m-3m
4,747.628888
false
[CIF] data_BaBrCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07910659 _cell_length_b 4.07910659 _cell_length_c 7.46745072 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaBrCl2 _chemical_formula_sum 'Ba1 Br1 Cl2' _cell_volume 124.25173823 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.73372536 1 Br Br1 1 0.00000000 0.00000000 0.00000000 1 Cl Cl2 1 2.03955330 2.03955330 2.20492418 1 Cl Cl3 1 2.03955330 2.03955330 5.26252654 1 [/CIF]
BaBrCl2
P4/mmm
123
tetragonal
4/mmm
3,850.75293
false
[CIF] data_LiCrRhW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26885478 _cell_length_b 4.26885478 _cell_length_c 4.26885478 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCrRhW _chemical_formula_sum 'Li1 Cr1 Rh1 W1' _cell_volume 55.00714998 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.50926808 1.50926808 1.50926808 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 4.52780424 4.52780424 4.52780424 1 W W3 1 3.01853616 3.01853616 3.01853616 1 [/CIF]
CrLiRhW
F-43m
216
cubic
-43m
10,435.360896
false
[CIF] data_Zr2TeOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28211307 _cell_length_b 3.28211307 _cell_length_c 7.71490887 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2TeOs _chemical_formula_sum 'Zr2 Te1 Os1' _cell_volume 83.10705209 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.85745444 1 Te Te1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 1.64105654 1.64105654 2.18872250 1 Zr Zr3 1 1.64105654 1.64105654 5.52618637 1 [/CIF]
OsTeZr2
P4/mmm
123
tetragonal
4/mmm
9,995.916619
false
[CIF] data_KSrYCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.86103137 _cell_length_b 5.86103137 _cell_length_c 5.86103137 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSrYCd _chemical_formula_sum 'K1 Sr1 Y1 Cd1' _cell_volume 142.36628121 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.14437503 4.14437503 4.14437503 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 6.21656255 6.21656255 6.21656255 1 Y Y3 1 2.07218751 2.07218751 2.07218751 1 [/CIF]
CdKSrY
F-43m
216
cubic
-43m
3,826.153055
false
[CIF] data_LaZrPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.95212811 _cell_length_b 5.95212811 _cell_length_c 5.95212811 _cell_angle_alpha 140.40875260 _cell_angle_beta 140.40875260 _cell_angle_gamma 57.23318897 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZrPb _chemical_formula_sum 'La1 Zr1 Pb1' _cell_volume 84.92540534 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.38711791 1 Pb Pb1 1 -0.00000000 0.00000000 3.26165464 1 Zr Zr2 1 0.00000000 0.00000000 7.25139429 1 [/CIF]
LaPbZr
I4mm
107
tetragonal
4mm
8,551.065102
false
[CIF] data_BPtS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10887076 _cell_length_b 4.10887076 _cell_length_c 4.10887076 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BPtS3 _chemical_formula_sum 'B1 Pt1 S3' _cell_volume 69.36932102 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy S S0 1 0.00000000 2.05443538 0.00000000 1 S S1 1 0.00000000 0.00000000 2.05443538 1 S S2 1 2.05443538 0.00000000 0.00000000 1 B B3 1 0.00000000 0.00000000 0.00000000 1 Pt Pt4 1 2.05443538 2.05443538 2.05443538 1 [/CIF]
BPtS3
Pm-3m
221
cubic
m-3m
7,231.327037
false
[CIF] data_LiScCoRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37083514 _cell_length_b 4.37083514 _cell_length_c 4.37083514 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiScCoRe _chemical_formula_sum 'Li1 Sc1 Co1 Re1' _cell_volume 59.04434123 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.63597075 4.63597075 4.63597075 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 1.54532358 1.54532358 1.54532358 1 Sc Sc3 1 3.09064717 3.09064717 3.09064717 1 [/CIF]
CoLiReSc
F-43m
216
cubic
-43m
8,353.750929
false
[CIF] data_VCdGaMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51927190 _cell_length_b 4.51927190 _cell_length_c 4.51927190 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCdGaMo _chemical_formula_sum 'V1 Cd1 Ga1 Mo1' _cell_volume 65.26651407 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.19560781 3.19560781 3.19560781 1 Ga Ga1 1 1.59780390 1.59780391 1.59780390 1 Mo Mo2 1 4.79341171 4.79341171 4.79341171 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdGaMoV
F-43m
216
cubic
-43m
8,371.464446
false
[CIF] data_MnCdNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22242129 _cell_length_b 4.22242129 _cell_length_c 4.22242129 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCdNi _chemical_formula_sum 'Mn1 Cd1 Ni1' _cell_volume 53.23162099 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.98570273 2.98570273 2.98570273 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 1.49285137 1.49285137 1.49285136 1 [/CIF]
CdMnNi
F-43m
216
cubic
-43m
7,051.303411
false
[CIF] data_Yb2PbS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.62557600 _cell_length_b 4.03450400 _cell_length_c 14.03292400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Yb2PbS4 _chemical_formula_sum 'Yb8 Pb4 S16' _cell_volume 714.80819687 _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 Yb Yb0 1 0.57832713 1.00862600 5.40256348 1 Yb Yb1 1 6.89111513 1.00862600 1.61389852 1 Yb Yb2 1 12.04724887 3.02587800 8.63036052 1 Yb Yb3 1 5.73446087 3.02587800 12.41902548 1 Yb Yb4 1 2.04272982 1.00862600 12.42100412 1 Yb Yb5 1 8.35551782 1.00862600 8.62838188 1 Yb Yb6 1 10.58284618 3.02587800 1.61191988 1 Yb Yb7 1 4.27005818 3.02587800 5.40454212 1 Pb Pb8 1 2.78391426 1.00862600 9.04322318 1 Pb Pb9 1 9.09670226 1.00862600 12.00616282 1 Pb Pb10 1 9.84166174 3.02587800 4.98970082 1 Pb Pb11 1 3.52887374 3.02587800 2.02676118 1 S S12 1 4.43581937 1.00862600 0.03853441 1 S S13 1 10.74860737 1.00862600 6.97792759 1 S S14 1 8.18975663 3.02587800 13.99438959 1 S S15 1 1.87696863 3.02587800 7.05499641 1 S S16 1 2.96511652 1.00862600 4.07965167 1 S S17 1 9.27790452 1.00862600 2.93681033 1 S S18 1 9.66045948 3.02587800 9.95327233 1 S S19 1 3.34767148 3.02587800 11.09611367 1 S S20 1 0.16773078 1.00862600 0.51055987 1 S S21 1 6.48051878 1.00862600 6.50590213 1 S S22 1 12.45784522 3.02587800 13.52236413 1 S S23 1 6.14505722 3.02587800 7.52702187 1 S S24 1 0.40741471 1.00862600 10.17259290 1 S S25 1 6.72020271 1.00862600 10.87679310 1 S S26 1 12.21816129 3.02587800 3.86033110 1 S S27 1 5.90537329 3.02587800 3.15613090 1 [/CIF]
Pb4S16Yb8
Pnma
62
orthorhombic
mmm
6,333.280986
false
[CIF] data_GaSiAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27720530 _cell_length_b 3.27720530 _cell_length_c 6.80384420 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaSiAs2 _chemical_formula_sum 'Ga1 Si1 As2' _cell_volume 73.07379413 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63860265 1.63860265 6.59055321 1 As As1 1 0.00000000 0.00000000 1.68691594 1 Ga Ga2 1 1.63860265 1.63860265 3.45901996 1 Si Si3 1 0.00000000 0.00000000 5.27312139 1 [/CIF]
As2GaSi
P4mm
99
tetragonal
4mm
5,627.671694
false
[CIF] data_In2PBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18878947 _cell_length_b 5.18878947 _cell_length_c 5.18878947 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2PBr _chemical_formula_sum 'In2 P1 Br1' _cell_volume 98.78321395 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.83451411 1.83451411 1.83451411 1 In In1 1 5.50354233 5.50354233 5.50354233 1 In In2 1 3.66902822 3.66902822 3.66902822 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrIn2P
F-43m
216
cubic
-43m
5,724.013037
false
[CIF] data_CdCo2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.88520765 _cell_length_b 8.88520765 _cell_length_c 8.88520765 _cell_angle_alpha 17.72481812 _cell_angle_beta 17.72481812 _cell_angle_gamma 17.72481812 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdCo2Ir _chemical_formula_sum 'Cd1 Co2 Ir1' _cell_volume 56.75475483 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.64142419 1 Co Co1 1 -0.00000000 -0.00000000 0.22860518 1 Co Co2 1 -0.00000000 -0.00000000 19.57855473 1 Ir Ir3 1 0.00000000 0.00000000 12.89708871 1 [/CIF]
CdCo2Ir
R3m
160
trigonal
3m
12,361.403751
false
[CIF] data_RbTlSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30624384 _cell_length_b 5.30624384 _cell_length_c 5.30624384 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbTlSi2 _chemical_formula_sum 'Rb1 Tl1 Si2' _cell_volume 105.64443183 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rb Rb0 1 0.00000000 0.00000000 0.00000000 1 Si Si1 1 5.62812150 5.62812150 5.62812150 1 Si Si2 1 1.87604050 1.87604050 1.87604050 1 Tl Tl3 1 3.75208100 3.75208100 3.75208100 1 [/CIF]
RbSi2Tl
Fm-3m
225
cubic
m-3m
5,438.840505
false
[CIF] data_Ca2MoBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32836202 _cell_length_b 5.32836202 _cell_length_c 5.32836202 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2MoBr _chemical_formula_sum 'Ca2 Mo1 Br1' _cell_volume 106.97102945 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.76772092 3.76772092 3.76772092 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Ca Ca2 1 5.65158138 5.65158138 5.65158138 1 Mo Mo3 1 1.88386046 1.88386046 1.88386046 1 [/CIF]
BrCa2Mo
F-43m
216
cubic
-43m
3,974.264939
false
[CIF] data_TlSnPdPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78577322 _cell_length_b 4.78577322 _cell_length_c 4.78577322 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlSnPdPt _chemical_formula_sum 'Tl1 Sn1 Pd1 Pt1' _cell_volume 77.50707521 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 3.38405270 3.38405270 3.38405270 1 Sn Sn2 1 1.69202635 1.69202635 1.69202635 1 Tl Tl3 1 5.07607905 5.07607905 5.07607905 1 [/CIF]
PdPtSnTl
F-43m
216
cubic
-43m
13,381.594063
false
[CIF] data_Ca2LaAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.34655578 _cell_length_b 6.34655578 _cell_length_c 6.34655578 _cell_angle_alpha 136.48988845 _cell_angle_beta 136.48988845 _cell_angle_gamma 63.22386250 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2LaAs _chemical_formula_sum 'Ca2 La1 As1' _cell_volume 119.62506353 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.40483988 1 Ca Ca1 1 0.00000000 2.35228359 2.70241994 1 Ca Ca2 1 0.00000000 0.00000000 0.00000000 1 La La3 1 2.35228359 0.00000000 2.70241994 1 [/CIF]
AsCa2La
I-4m2
119
tetragonal
-42m
4,080.836894
false
[CIF] data_Ba2Cu3P4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.38919694 _cell_length_b 8.38919694 _cell_length_c 8.38919694 _cell_angle_alpha 112.03962723 _cell_angle_beta 84.21192750 _cell_angle_gamma 136.51890179 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2Cu3P4 _chemical_formula_sum 'Ba4 Cu6 P8' _cell_volume 362.73120546 _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 Ba Ba0 1 2.77860498 1.35914645 3.10739400 1 Ba Ba1 1 1.91016902 4.86484955 -0.00000000 1 Ba Ba2 1 -1.91016902 4.86484955 3.10739400 1 Ba Ba3 1 6.59894302 1.35914645 -0.00000000 1 Cu Cu4 1 0.00000000 0.00000000 1.55369700 1 Cu Cu5 1 0.00000000 0.00000000 4.66109100 1 Cu Cu6 1 -0.00000000 2.74892742 4.66109100 1 Cu Cu7 1 4.68877400 3.47506858 1.55369700 1 Cu Cu8 1 0.00000000 2.74892742 1.55369700 1 Cu Cu9 1 4.68877400 3.47506858 -1.55369700 1 P P10 1 1.24027450 -1.51276712 3.10739400 1 P P11 1 3.44849950 7.73676312 -0.00000000 1 P P12 1 1.24027450 1.51276712 0.00000000 1 P P13 1 3.44849950 4.71122888 3.10739400 1 P P14 1 3.44823693 1.98636343 0.00000000 1 P P15 1 1.24053707 4.23763257 3.10739400 1 P P16 1 1.24053707 8.21035943 0.00000000 1 P P17 1 3.44823693 -1.98636343 3.10739400 1 [/CIF]
Ba4Cu6P8
Ibam
72
orthorhombic
mmm
5,394.452399
false
[CIF] data_BeNb2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37275541 _cell_length_b 4.37275541 _cell_length_c 4.37275541 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeNb2Si _chemical_formula_sum 'Be1 Nb2 Si1' _cell_volume 59.12219619 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 3.09200500 3.09200500 3.09200500 1 Nb Nb2 1 1.54600250 1.54600250 1.54600250 1 Si Si3 1 4.63800750 4.63800750 4.63800750 1 [/CIF]
BeNb2Si
F-43m
216
cubic
-43m
6,260.787338
false
[CIF] data_MgTl2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92122797 _cell_length_b 4.92122797 _cell_length_c 4.92122797 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTl2Pd _chemical_formula_sum 'Mg1 Tl2 Pd1' _cell_volume 84.27629871 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 3.47983367 3.47983367 3.47983367 1 Tl Tl2 1 5.21975051 5.21975051 5.21975051 1 Tl Tl3 1 1.73991684 1.73991684 1.73991684 1 [/CIF]
MgPdTl2
Fm-3m
225
cubic
m-3m
10,629.879237
false
[CIF] data_LaNiPdRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66201940 _cell_length_b 4.66201940 _cell_length_c 4.66201940 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaNiPdRh _chemical_formula_sum 'La1 Ni1 Pd1 Rh1' _cell_volume 71.64852113 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.29654553 3.29654553 3.29654553 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 4.94481830 4.94481830 4.94481830 1 Rh Rh3 1 1.64827277 1.64827277 1.64827277 1 [/CIF]
LaNiPdRh
F-43m
216
cubic
-43m
9,430.952697
false
[CIF] data_Sr2MnZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.50913650 _cell_length_b 3.50913650 _cell_length_c 8.78826162 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2MnZn _chemical_formula_sum 'Sr2 Mn1 Zn1' _cell_volume 108.21899612 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.83658299 1 Sr Sr1 1 1.75456825 1.75456825 8.07398845 1 Sr Sr2 1 0.00000000 0.00000000 2.91809218 1 Zn Zn3 1 1.75456825 1.75456825 5.14199034 1 [/CIF]
MnSr2Zn
P4mm
99
tetragonal
4mm
4,535.115809
false
[CIF] data_SiIrAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03284106 _cell_length_b 4.08316196 _cell_length_c 5.32515695 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiIrAu2 _chemical_formula_sum 'Si1 Ir1 Au2' _cell_volume 65.94451374 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.51642053 2.04158098 1.33121974 1 Au Au1 1 1.51642053 2.04158098 3.99393721 1 Ir Ir2 1 0.00000000 0.00000000 2.66257848 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2IrSi
Pmmm
47
orthorhombic
mmm
15,466.976934
false
[CIF] data_Ta2ReSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58326213 _cell_length_b 4.58326213 _cell_length_c 4.58326213 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2ReSe _chemical_formula_sum 'Ta2 Re1 Se1' _cell_volume 68.07836090 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62042787 1.62042787 1.62042787 1 Se Se1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 4.86128360 4.86128360 4.86128360 1 Ta Ta3 1 3.24085573 3.24085573 3.24085573 1 [/CIF]
ReSeTa2
F-43m
216
cubic
-43m
15,295.054058
false
[CIF] data_KLaHf2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38210224 _cell_length_b 5.61677738 _cell_length_c 6.05576286 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLaHf2 _chemical_formula_sum 'K1 La1 Hf2' _cell_volume 115.03839218 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69105112 0.00000000 3.02788143 1 Hf Hf1 1 0.00000000 2.80838869 3.02788143 1 K K2 1 0.00000000 0.00000000 0.00000000 1 La La3 1 1.69105112 2.80838869 0.00000000 1 [/CIF]
Hf2KLa
Pmmm
47
orthorhombic
mmm
7,722.304122
false
[CIF] data_SiSbOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.33602444 _cell_length_b 6.33602444 _cell_length_c 6.33602444 _cell_angle_alpha 152.23740713 _cell_angle_beta 152.23740713 _cell_angle_gamma 39.66671018 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiSbOs _chemical_formula_sum 'Si1 Sb1 Os1' _cell_volume 55.08772951 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.20954895 1 Sb Sb1 1 0.00000000 -0.00000000 4.23037864 1 Si Si2 1 0.00000000 -0.00000000 7.48045858 1 [/CIF]
OsSbSi
I4mm
107
tetragonal
4mm
10,251.078749
false
[CIF] data_Ba2SrIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77772380 _cell_length_b 3.77772380 _cell_length_c 9.09032477 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2SrIr _chemical_formula_sum 'Ba2 Sr1 Ir1' _cell_volume 129.72981658 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.88886190 1.88886190 0.01502449 1 Ba Ba1 1 0.00000000 0.00000000 2.14863189 1 Ir Ir2 1 1.88886190 1.88886190 4.55209967 1 Sr Sr3 1 0.00000000 0.00000000 6.91973120 1 [/CIF]
Ba2IrSr
P4mm
99
tetragonal
4mm
7,097.473749
false
[CIF] data_AlInSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21124704 _cell_length_b 5.21124704 _cell_length_c 5.21124704 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlInSb2 _chemical_formula_sum 'Al1 In1 Sb2' _cell_volume 100.07140248 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 3.68490812 3.68490812 3.68490812 1 Sb Sb2 1 5.52736218 5.52736218 5.52736218 1 Sb Sb3 1 1.84245406 1.84245406 1.84245406 1 [/CIF]
AlInSb2
Fm-3m
225
cubic
m-3m
6,393.816126
false
[CIF] data_CaVIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17477883 _cell_length_b 4.24743038 _cell_length_c 6.67382742 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaVIn2 _chemical_formula_sum 'Ca1 V1 In2' _cell_volume 89.99424054 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 1.58738941 2.12371519 1.88961675 1 In In2 1 1.58738941 2.12371519 4.78421067 1 V V3 1 0.00000000 0.00000000 3.33691371 1 [/CIF]
CaIn2V
Pmmm
47
orthorhombic
mmm
5,916.626249
false
[CIF] data_NpMn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75559619 _cell_length_b 2.75559619 _cell_length_c 3.87271100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NpMn _chemical_formula_sum 'Np1 Mn1' _cell_volume 29.40669650 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Np Np1 1 1.37779809 1.37779809 1.93635550 1 [/CIF]
MnNp
P4/mmm
123
tetragonal
4/mmm
16,485.174685
false
[CIF] data_Dy2ScRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02757164 _cell_length_b 5.02757164 _cell_length_c 5.02757164 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Dy2ScRh _chemical_formula_sum 'Dy2 Sc1 Rh1' _cell_volume 89.85863261 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.33254500 5.33254500 5.33254500 1 Dy Dy1 1 1.77751500 1.77751500 1.77751500 1 Rh Rh2 1 3.55503000 3.55503000 3.55503000 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Dy2RhSc
Fm-3m
225
cubic
m-3m
8,738.223862
false
[CIF] data_CrReRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.68039063 _cell_length_b 3.75123974 _cell_length_c 5.47172749 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrReRh2 _chemical_formula_sum 'Cr1 Re1 Rh2' _cell_volume 55.01705908 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.65943066 1 Re Re1 1 1.34019531 1.87561987 4.09271674 1 Rh Rh2 1 0.00000000 0.00000000 5.44662780 1 Rh Rh3 1 1.34019531 1.87561987 1.48054353 1 [/CIF]
CrReRh2
Pmm2
25
orthorhombic
mm2
13,401.348081
false
[CIF] data_HgPtSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.67069630 _cell_length_b 5.67069630 _cell_length_c 5.67069630 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgPtSe4 _chemical_formula_sum 'Hg1 Pt1 Se4' _cell_volume 128.94193086 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.01468172 6.01468172 6.01468172 1 Pt Pt1 1 0.00000000 0.00000000 0.00000000 1 Se Se2 1 5.01411225 5.01411225 3.00546337 1 Se Se3 1 5.01411225 3.00546337 5.01411225 1 Se Se4 1 3.00546337 5.01411225 5.01411225 1 Se Se5 1 3.00546337 3.00546337 3.00546337 1 [/CIF]
HgPtSe4
F-43m
216
cubic
-43m
9,163.014587
false