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_LaSnBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96879409 _cell_length_b 4.82822712 _cell_length_c 6.27533674 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaSnBr2 _chemical_formula_sum 'La1 Sn1 Br2' _cell_volume 120.24950404 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.98439704 2.41411356 0.00013059 1 Br Br1 1 0.00000000 0.00000000 1.73461352 1 La La2 1 1.98439704 2.41411356 3.13152764 1 Sn Sn3 1 0.00000000 0.00000000 4.54673342 1 [/CIF]
Br2LaSn
Pmm2
25
orthorhombic
mm2
5,764.248134
false
[CIF] data_Ge2TePt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.05248893 _cell_length_b 6.05248893 _cell_length_c 4.68740181 _cell_angle_alpha 109.49322386 _cell_angle_beta 109.49322386 _cell_angle_gamma 31.68760475 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ge2TePt _chemical_formula_sum 'Ge2 Te1 Pt1' _cell_volume 84.59786857 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 1.14648364 -0.00000000 3.09719215 1 Ge Ge1 1 8.87268646 0.00000000 1.29917835 1 Pt Pt2 1 5.00958505 0.00000000 2.19818525 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ge2PtTe
C2/m
12
monoclinic
2/m
9,185.485603
false
[CIF] data_CoCu2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93579309 _cell_length_b 2.93579309 _cell_length_c 5.85449197 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoCu2Pd _chemical_formula_sum 'Co1 Cu2 Pd1' _cell_volume 50.45917000 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 1.46789655 1.46789655 1.33834494 1 Cu Cu2 1 1.46789655 1.46789655 4.51614703 1 Pd Pd3 1 0.00000000 0.00000000 2.92724598 1 [/CIF]
CoCu2Pd
P4/mmm
123
tetragonal
4/mmm
9,623.952815
false
[CIF] data_NiRuRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05066344 _cell_length_b 4.05066344 _cell_length_c 4.05066344 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiRuRh _chemical_formula_sum 'Ni1 Ru1 Rh1' _cell_volume 46.99628017 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 4.29637739 4.29637739 4.29637739 1 Ru Ru2 1 2.86425159 2.86425159 2.86425159 1 [/CIF]
NiRhRu
F-43m
216
cubic
-43m
9,280.989228
false
[CIF] data_Cr2FePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30070370 _cell_length_b 4.30070370 _cell_length_c 4.30070370 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2FePb _chemical_formula_sum 'Cr2 Fe1 Pb1' _cell_volume 56.24754474 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 0.00000000 1 Cr Cr1 1 4.56158513 4.56158513 4.56158513 1 Fe Fe2 1 3.04105675 3.04105675 3.04105675 1 Pb Pb3 1 1.52052838 1.52052838 1.52052838 1 [/CIF]
Cr2FePb
F-43m
216
cubic
-43m
10,835.666025
false
[CIF] data_TlSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05100492 _cell_length_b 5.05100492 _cell_length_c 5.65286413 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlSi2 _chemical_formula_sum 'Tl2 Si4' _cell_volume 124.89779240 _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 Si Si0 1 0.00000000 0.00000000 2.82643207 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Si Si2 1 2.52550246 1.45809953 4.23964810 1 Si Si3 1 0.00000000 2.91619905 1.41321603 1 Tl Tl4 1 -0.00000000 2.91619905 4.23964810 1 Tl Tl5 1 2.52550246 1.45809953 1.41321603 1 [/CIF]
Si4Tl2
P6_3/mmc
194
hexagonal
6/mmm
6,928.23445
false
[CIF] data_Ba2TiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36901676 _cell_length_b 4.35223789 _cell_length_c 9.29977072 _cell_angle_alpha 90.00000000 _cell_angle_beta 93.94304697 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2TiMo _chemical_formula_sum 'Ba2 Ti1 Mo1' _cell_volume 136.03754927 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.73676258 2.17611894 8.53738271 1 Ba Ba1 1 2.29950712 0.00000000 3.07607528 1 Mo Mo2 1 1.29203847 2.17611894 5.49191076 1 Ti Ti3 1 0.49549053 0.00000000 6.08902434 1 [/CIF]
Ba2MoTi
Pm
6
monoclinic
m
5,108.178241
false
[CIF] data_CaBi2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35087760 _cell_length_b 4.35087760 _cell_length_c 6.43533674 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaBi2Te _chemical_formula_sum 'Ca1 Bi2 Te1' _cell_volume 121.82179899 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.17543880 2.17543880 4.90067663 1 Bi Bi1 1 2.17543880 2.17543880 1.53466011 1 Ca Ca2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 0.00000000 0.00000000 3.21766837 1 [/CIF]
Bi2CaTe
P4/mmm
123
tetragonal
4/mmm
7,982.775779
false
[CIF] data_FeRuBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23619656 _cell_length_b 3.23619656 _cell_length_c 5.71733414 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeRuBr _chemical_formula_sum 'Fe1 Ru1 Br1' _cell_volume 51.85540010 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000002 1.86841896 0.05744772 1 Fe Fe1 1 0.00000000 0.00000000 2.07879365 1 Ru Ru2 1 1.61809826 0.93420949 3.58109277 1 [/CIF]
BrFeRu
P3m1
156
trigonal
3m
7,583.534218
false
[CIF] data_Er2MnOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85059119 _cell_length_b 4.85059119 _cell_length_c 4.85059119 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er2MnOs _chemical_formula_sum 'Er2 Mn1 Os1' _cell_volume 80.69916150 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Er Er0 1 5.14482888 5.14482888 5.14482888 1 Er Er1 1 1.71494296 1.71494296 1.71494296 1 Mn Mn2 1 -0.00000000 0.00000000 0.00000000 1 Os Os3 1 3.42988592 3.42988592 3.42988592 1 [/CIF]
Er2MnOs
Fm-3m
225
cubic
m-3m
11,928.145302
false
[CIF] data_LiMgAlNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34625873 _cell_length_b 4.34625873 _cell_length_c 4.34625873 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMgAlNi _chemical_formula_sum 'Li1 Mg1 Al1 Ni1' _cell_volume 58.05394403 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 3.07326902 3.07326902 3.07326902 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Mg Mg2 1 4.60990353 4.60990353 4.60990353 1 Ni Ni3 1 1.53663451 1.53663451 1.53663451 1 [/CIF]
AlLiMgNi
F-43m
216
cubic
-43m
3,344.334127
false
[CIF] data_ReTcAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.77810002 _cell_length_b 2.77810002 _cell_length_c 7.08227638 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReTcAg _chemical_formula_sum 'Re1 Tc1 Ag1' _cell_volume 47.33683937 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000001 1.60393680 7.07688025 1 Re Re1 1 1.38905000 0.80196840 2.50950754 1 Tc Tc2 1 0.00000000 0.00000000 4.57816497 1 [/CIF]
AgReTc
P3m1
156
trigonal
3m
13,785.478194
false
[CIF] data_Ca2TcAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39345165 _cell_length_b 3.39345165 _cell_length_c 7.98449277 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2TcAu _chemical_formula_sum 'Ca2 Tc1 Au1' _cell_volume 91.94553935 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.99224639 1 Ca Ca1 1 1.69672583 1.69672583 6.03612347 1 Ca Ca2 1 1.69672583 1.69672583 1.94836930 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuCa2Tc
P4/mmm
123
tetragonal
4/mmm
6,791.52937
false
[CIF] data_MnCdCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05684822 _cell_length_b 4.05684822 _cell_length_c 3.64068818 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCdCu2 _chemical_formula_sum 'Mn1 Cd1 Cu2' _cell_volume 59.91850971 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.02842411 2.02842411 0.00000000 1 Cu Cu1 1 2.02842411 0.00000000 1.82034409 1 Cu Cu2 1 0.00000000 2.02842411 1.82034409 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdCu2Mn
P4/mmm
123
tetragonal
4/mmm
8,160.810447
false
[CIF] data_Hf2ReBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.71890546 _cell_length_b 5.71890546 _cell_length_c 5.71890546 _cell_angle_alpha 140.12184246 _cell_angle_beta 140.12184246 _cell_angle_gamma 57.66834491 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2ReBr _chemical_formula_sum 'Hf2 Re1 Br1' _cell_volume 76.22090423 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 1.95026570 -0.00000000 2.50493548 1 Hf Hf2 1 0.00000000 -0.00000000 5.00987096 1 Re Re3 1 0.00000000 1.95026570 2.50493548 1 [/CIF]
BrHf2Re
I-4m2
119
tetragonal
-42m
13,574.582432
false
[CIF] data_YGaCuAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71157140 _cell_length_b 4.71157140 _cell_length_c 4.71157140 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YGaCuAg _chemical_formula_sum 'Y1 Ga1 Cu1 Ag1' _cell_volume 73.95751884 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Y Y0 1 3.33158409 3.33158409 3.33158409 1 Cu Cu1 1 0.00000000 -0.00000000 0.00000000 1 Ag Ag2 1 4.99737613 4.99737613 4.99737613 1 Ga Ga3 1 1.66579204 1.66579204 1.66579204 1 [/CIF]
AgCuGaY
F-43m
216
cubic
-43m
7,410.326723
false
[CIF] data_Sc(CuW)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.40540176 _cell_length_b 6.40540176 _cell_length_c 6.40540176 _cell_angle_alpha 145.63430983 _cell_angle_beta 145.63430983 _cell_angle_gamma 49.39025646 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc(CuW)2 _chemical_formula_sum 'Sc1 Cu2 W2' _cell_volume 83.35480859 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.95725092 1 Cu Cu1 1 0.00000000 -0.00000000 4.68192398 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 0.00000000 1.89229671 2.90979372 1 W W4 1 1.89229671 -0.00000000 2.90979372 1 [/CIF]
Cu2ScW2
I4/mmm
139
tetragonal
4/mmm
10,752.100549
false
[CIF] data_BeRuAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26292005 _cell_length_b 5.26292005 _cell_length_c 5.26292005 _cell_angle_alpha 147.74054368 _cell_angle_beta 129.99508384 _cell_angle_gamma 60.76704771 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeRuAu2 _chemical_formula_sum 'Be1 Ru1 Au2' _cell_volume 59.06368064 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.22441075 2.67951008 1 Au Au1 1 1.46210824 0.00000000 1.86059606 1 Be Be2 1 0.00000000 0.00000000 0.00000000 1 Ru Ru3 1 0.00000000 0.00000000 4.54010613 1 [/CIF]
Au2BeRu
Immm
71
orthorhombic
mmm
14,170.151114
false
[CIF] data_Mo2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12699213 _cell_length_b 5.12699213 _cell_length_c 16.56697985 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mo2Os _chemical_formula_sum 'Mo16 Os8' _cell_volume 377.13711727 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.56349606 1.48003514 2.07465290 1 Mo Mo1 1 0.00000000 2.96007029 14.49232695 1 Mo Mo2 1 0.00000000 2.96007029 10.35814283 1 Mo Mo3 1 2.56349606 1.48003514 6.20883702 1 Mo Mo4 1 -1.28174803 2.22005271 0.00000000 1 Mo Mo5 1 1.28174803 2.22005271 0.00000000 1 Mo Mo6 1 2.56349606 0.00000000 0.00000000 1 Mo Mo7 1 -1.28174803 2.22005271 8.28348992 1 Mo Mo8 1 1.28174803 2.22005271 8.28348992 1 Mo Mo9 1 2.56349606 0.00000000 8.28348992 1 Mo Mo10 1 1.24734524 0.72015511 4.14174496 1 Mo Mo11 1 3.87964689 0.72015511 4.14174496 1 Mo Mo12 1 2.56349606 2.99979521 4.14174496 1 Mo Mo13 1 1.31615083 3.71995032 12.42523489 1 Mo Mo14 1 -1.31615083 3.71995032 12.42523489 1 Mo Mo15 1 -0.00000000 1.44031022 12.42523489 1 Os Os16 1 0.00000000 0.00000000 1.54948312 1 Os Os17 1 0.00000000 0.00000000 15.01749673 1 Os Os18 1 0.00000000 0.00000000 9.83297304 1 Os Os19 1 0.00000000 0.00000000 6.73400681 1 Os Os20 1 2.56349606 1.48003514 13.97515455 1 Os Os21 1 0.00000000 2.96007029 2.59182530 1 Os Os22 1 0.00000000 2.96007029 5.69166462 1 Os Os23 1 2.56349606 1.48003514 10.87531523 1 [/CIF]
Mo16Os8
P6_3/mmc
194
hexagonal
6/mmm
13,460.886768
false
[CIF] data_ZnMo2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18943071 _cell_length_b 3.18943071 _cell_length_c 7.57780976 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnMo2Br _chemical_formula_sum 'Zn1 Mo2 Br1' _cell_volume 77.08502898 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.59471535 1.59471535 6.02658520 1 Mo Mo1 1 0.00000000 0.00000000 0.34976942 1 Mo Mo2 1 1.59471535 1.59471535 1.70422532 1 Zn Zn3 1 0.00000000 0.00000000 3.28613478 1 [/CIF]
BrMo2Zn
P4mm
99
tetragonal
4mm
7,263.932519
false
[CIF] data_NbGaGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.96094641 _cell_length_b 4.75730338 _cell_length_c 4.94953150 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbGaGe2 _chemical_formula_sum 'Nb1 Ga1 Ge2' _cell_volume 69.71969646 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 0.00000000 1 Ge Ge1 1 0.00000000 2.37865169 2.47476575 1 Ge Ge2 1 1.48047321 2.37865169 0.00000000 1 Nb Nb3 1 1.48047321 0.00000000 2.47476575 1 [/CIF]
GaGe2Nb
Pmmm
47
orthorhombic
mmm
7,333.588361
false
[CIF] data_LaScAlGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01529976 _cell_length_b 5.01529976 _cell_length_c 5.01529976 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaScAlGa _chemical_formula_sum 'La1 Sc1 Al1 Ga1' _cell_volume 89.20222531 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 5.31952871 5.31952871 5.31952871 1 La La2 1 1.77317624 1.77317624 1.77317623 1 Sc Sc3 1 3.54635247 3.54635247 3.54635247 1 [/CIF]
AlGaLaSc
F-43m
216
cubic
-43m
5,222.859299
false
[CIF] data_SrHgPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96463089 _cell_length_b 4.96463089 _cell_length_c 4.94175482 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrHgPb2 _chemical_formula_sum 'Sr1 Hg1 Pb2' _cell_volume 121.80219781 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.48231544 2.48231544 0.00000000 1 Pb Pb1 1 2.48231544 0.00000000 2.47087741 1 Pb Pb2 1 0.00000000 2.48231544 2.47087741 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgPb2Sr
P4/mmm
123
tetragonal
4/mmm
9,578.738106
false
[CIF] data_AgAsOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.64903583 _cell_length_b 5.64903583 _cell_length_c 5.64903583 _cell_angle_alpha 148.08820537 _cell_angle_beta 148.08820537 _cell_angle_gamma 45.75517374 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgAsOs _chemical_formula_sum 'Ag1 As1 Os1' _cell_volume 50.20452657 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00009212 1 As As1 1 0.00000000 -0.00000000 3.19857431 1 Os Os2 1 0.00000000 0.00000000 7.21067126 1 [/CIF]
AgAsOs
I4mm
107
tetragonal
4mm
12,337.810809
false
[CIF] data_TlIr2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53260971 _cell_length_b 4.53260971 _cell_length_c 4.53260971 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlIr2Rh _chemical_formula_sum 'Tl1 Ir2 Rh1' _cell_volume 65.84608763 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.60251953 1.60251953 1.60251953 1 Ir Ir1 1 4.80755859 4.80755859 4.80755859 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 3.20503906 3.20503906 3.20503906 1 [/CIF]
Ir2RhTl
Fm-3m
225
cubic
m-3m
17,444.206239
false
[CIF] data_NaSr2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.63739301 _cell_length_b 7.63739301 _cell_length_c 7.63739301 _cell_angle_alpha 152.54309185 _cell_angle_beta 138.96143648 _cell_angle_gamma 50.08684883 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSr2Ru _chemical_formula_sum 'Na1 Sr2 Ru1' _cell_volume 134.29780980 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.99462040 1 Ru Ru1 1 0.00000000 2.67707870 3.55111478 1 Sr Sr2 1 -0.00000000 0.00000000 12.79574853 1 Sr Sr3 1 1.81251073 0.00000000 3.33603815 1 [/CIF]
NaRuSr2
Imm2
44
orthorhombic
mm2
3,700.726817
false
[CIF] data_ScReW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.71491870 _cell_length_b 4.63255332 _cell_length_c 5.36298066 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScReW2 _chemical_formula_sum 'Sc1 Re1 W2' _cell_volume 67.45023799 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 2.68149033 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 1.35745935 2.31627666 1.33804523 1 W W3 1 1.35745935 2.31627666 4.02493543 1 [/CIF]
ReScW2
Pmmm
47
orthorhombic
mmm
14,742.7508
false
[CIF] data_LaSn2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57052031 _cell_length_b 4.05823481 _cell_length_c 8.77805313 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.53660620 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaSn2Br _chemical_formula_sum 'La1 Sn2 Br1' _cell_volume 127.06944468 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.35187348 0.00000000 4.90607813 1 La La1 1 1.56258626 2.02911741 6.62721629 1 Sn Sn2 1 -0.33637231 0.00000000 8.76619638 1 Sn Sn3 1 1.59171276 2.02911741 1.62413898 1 [/CIF]
BrLaSn2
Pm
6
monoclinic
m
5,961.990785
false
[CIF] data_HgSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.01659750 _cell_length_b 7.70464540 _cell_length_c 7.46096990 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgSe _chemical_formula_sum 'Hg12 Se12' _cell_volume 690.76362184 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 9.60455563 1.30188352 1.86524248 1 Hg Hg1 1 2.41204187 6.40276188 5.59572743 1 Hg Hg2 1 2.41204187 5.15420622 1.86524248 1 Hg Hg3 1 9.60455563 2.55043918 5.59572743 1 Hg Hg4 1 5.80168297 3.68387018 1.86524248 1 Hg Hg5 1 6.21491453 4.02077522 5.59572743 1 Hg Hg6 1 6.21491453 7.53619288 1.86524248 1 Hg Hg7 1 5.80168297 0.16845252 5.59572743 1 Hg Hg8 1 10.89698696 5.77848405 0.00000000 1 Hg Hg9 1 1.11961054 1.92616135 3.73048495 1 Hg Hg10 1 1.11961054 1.92616135 0.00000000 1 Hg Hg11 1 10.89698696 5.77848405 3.73048495 1 Se Se12 1 11.33762069 3.12346463 1.86524248 1 Se Se13 1 0.67897681 4.58118077 5.59572743 1 Se Se14 1 0.67897681 6.97578733 1.86524248 1 Se Se15 1 11.33762069 0.72885807 5.59572743 1 Se Se16 1 8.95375462 6.54996160 1.86524248 1 Se Se17 1 3.06284288 1.15468380 5.59572743 1 Se Se18 1 3.06284288 2.69763890 1.86524248 1 Se Se19 1 8.95375462 5.00700650 5.59572743 1 Se Se20 1 5.04394757 5.77848405 0.00000000 1 Se Se21 1 6.97264993 1.92616135 3.73048495 1 Se Se22 1 6.97264993 1.92616135 0.00000000 1 Se Se23 1 5.04394757 5.77848405 3.73048495 1 [/CIF]
Hg12Se12
Pbcm
57
orthorhombic
mmm
8,064.18314
false
[CIF] data_CrCdW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66358710 _cell_length_b 4.66358710 _cell_length_c 4.66358710 _cell_angle_alpha 126.33197408 _cell_angle_beta 126.33197408 _cell_angle_gamma 79.34320091 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrCdW2 _chemical_formula_sum 'Cr1 Cd1 W2' _cell_volume 63.63382757 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.10517742 1.79481898 1 Cr Cr1 1 0.00000000 -0.00000000 0.00000000 1 W W2 1 2.10517742 -0.00000000 1.79481898 1 W W3 1 0.00000000 -0.00000000 3.58963796 1 [/CIF]
CdCrW2
I-4m2
119
tetragonal
-42m
13,884.932749
false
[CIF] data_NbGe2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61218280 _cell_length_b 4.61218280 _cell_length_c 5.18808009 _cell_angle_alpha 100.98513423 _cell_angle_beta 100.98513423 _cell_angle_gamma 37.53235409 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbGe2W _chemical_formula_sum 'Nb1 Ge2 W1' _cell_volume 65.85793314 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.30192341 -0.00000000 1.33558172 1 Ge Ge1 1 1.38795187 0.00000000 3.74634654 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 3.84493764 -0.00000000 2.54096413 1 [/CIF]
Ge2NbW
C2/m
12
monoclinic
2/m
10,640.954821
false
[CIF] data_NaLaCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44334699 _cell_length_b 3.44334699 _cell_length_c 9.74782187 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLaCd2 _chemical_formula_sum 'Na1 La1 Cd2' _cell_volume 115.57639994 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 1.72167349 1.72167349 0.26596289 1 Cd Cd1 1 0.00000000 0.00000000 2.15553039 1 La La2 1 1.72167349 1.72167349 4.49529891 1 Na Na3 1 0.00000000 0.00000000 7.70494052 1 [/CIF]
Cd2LaNa
P4mm
99
tetragonal
4mm
5,556.162851
false
[CIF] data_CsCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20905500 _cell_length_b 4.20905500 _cell_length_c 4.20905500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsCl _chemical_formula_sum 'Cs1 Cl1' _cell_volume 74.56822445 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.10452750 2.10452750 2.10452750 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
ClCs
Pm-3m
221
cubic
m-3m
3,749.127576
false
[CIF] data_AgSnMoW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64165820 _cell_length_b 4.64165820 _cell_length_c 4.64165820 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgSnMoW _chemical_formula_sum 'Ag1 Sn1 Mo1 W1' _cell_volume 70.71384843 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64107399 1.64107399 1.64107399 1 Mo Mo1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 3.28214799 3.28214799 3.28214799 1 W W3 1 4.92322198 4.92322198 4.92322198 1 [/CIF]
AgMoSnW
F-43m
216
cubic
-43m
11,891.034107
false
[CIF] data_MnAgBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80230204 _cell_length_b 5.80230204 _cell_length_c 5.43215908 _cell_angle_alpha 105.08654229 _cell_angle_beta 105.08654229 _cell_angle_gamma 32.79244713 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnAgBi2 _chemical_formula_sum 'Mn1 Ag1 Bi2' _cell_volume 95.33375331 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.33442186 -0.00000000 4.04269052 1 Bi Bi1 1 9.57429170 -0.00000000 4.92083707 1 Bi Bi2 1 8.13501825 -0.00000000 1.68207850 1 Mn Mn3 1 5.10344036 -0.00000000 2.42541353 1 [/CIF]
AgBi2Mn
Cm
8
monoclinic
m
10,115.896347
false
[CIF] data_Bi2PdCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45151012 _cell_length_b 3.45151012 _cell_length_c 8.12698282 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi2PdCl _chemical_formula_sum 'Bi2 Pd1 Cl1' _cell_volume 96.81611303 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.72575506 1.72575506 5.79600193 1 Bi Bi1 1 1.72575506 1.72575506 2.33098089 1 Cl Cl2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 0.00000000 0.00000000 4.06349141 1 [/CIF]
Bi2ClPd
P4/mmm
123
tetragonal
4/mmm
9,602.096755
false
[CIF] data_GaSn2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.63571981 _cell_length_b 3.63571981 _cell_length_c 7.27607897 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaSn2Se _chemical_formula_sum 'Ga1 Sn2 Se1' _cell_volume 96.17854797 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 0.00000000 1 Se Se1 1 0.00000000 0.00000000 3.63803949 1 Sn Sn2 1 1.81785990 1.81785990 5.39526545 1 Sn Sn3 1 1.81785990 1.81785990 1.88081352 1 [/CIF]
GaSeSn2
P4/mmm
123
tetragonal
4/mmm
6,666.346485
false
[CIF] data_Ti2MoP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13054074 _cell_length_b 4.13054074 _cell_length_c 3.44038446 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2MoP _chemical_formula_sum 'Ti2 Mo1 P1' _cell_volume 58.69766122 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.06527037 2.06527037 0.00000000 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 0.00000000 2.06527037 1.72019223 1 Ti Ti3 1 2.06527037 0.00000000 1.72019223 1 [/CIF]
MoPTi2
P4/mmm
123
tetragonal
4/mmm
6,299.203579
false
[CIF] data_ZrUNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55714182 _cell_length_b 4.55714182 _cell_length_c 4.55714182 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrUNi2 _chemical_formula_sum 'Zr1 U1 Ni2' _cell_volume 66.92103262 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61119294 1.61119294 1.61119294 1 Ni Ni1 1 4.83357882 4.83357882 4.83357882 1 U U2 1 3.22238588 3.22238588 3.22238588 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ni2UZr
Fm-3m
225
cubic
m-3m
11,082.654558
false
[CIF] data_GaCoPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35425352 _cell_length_b 4.35425352 _cell_length_c 4.35425352 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaCoPt2 _chemical_formula_sum 'Ga1 Co1 Pt2' _cell_volume 58.37489824 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 1.53946110 1.53946110 1.53946110 1 Pt Pt2 1 3.07892219 3.07892219 3.07892219 1 Pt Pt3 1 4.61838329 4.61838329 4.61838329 1 [/CIF]
CoGaPt2
F-43m
216
cubic
-43m
14,758.532698
false
[CIF] data_TaCo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15826199 _cell_length_b 5.15826199 _cell_length_c 4.14852967 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCo3 _chemical_formula_sum 'Ta2 Co6' _cell_volume 95.59421782 _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 0.00000000 1.41335692 3.11139725 1 Co Co1 1 -1.35512800 3.76050746 3.11139725 1 Co Co2 1 1.35512800 3.76050746 3.11139725 1 Co Co3 1 1.22400299 0.70667846 1.03713242 1 Co Co4 1 3.93425899 0.70667846 1.03713242 1 Co Co5 1 2.57913099 3.05382900 1.03713242 1 Ta Ta6 1 2.57913099 1.48906197 3.11139725 1 Ta Ta7 1 0.00000000 2.97812395 1.03713242 1 [/CIF]
Co6Ta2
P6_3/mmc
194
hexagonal
6/mmm
12,428.652337
false
[CIF] data_GaCo2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57041769 _cell_length_b 4.57041769 _cell_length_c 4.57041769 _cell_angle_alpha 130.84724410 _cell_angle_beta 130.84724410 _cell_angle_gamma 72.05588872 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaCo2Ag _chemical_formula_sum 'Ga1 Co2 Ag1' _cell_volume 53.42216608 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.69623492 1 Co Co1 1 0.00000000 1.90086366 1.84811746 1 Co Co2 1 1.90086366 0.00000000 1.84811746 1 Ga Ga3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgCo2Ga
I4/mmm
139
tetragonal
4/mmm
9,183.807147
false
[CIF] data_Sr3YSc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.17114866 _cell_length_b 6.17114866 _cell_length_c 6.17114866 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr3YSc _chemical_formula_sum 'Sr3 Y1 Sc1' _cell_volume 235.01632209 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Y Y0 1 3.08557433 3.08557433 3.08557433 1 Sr Sr1 1 3.08557433 0.00000000 3.08557433 1 Sr Sr2 1 3.08557433 3.08557433 0.00000000 1 Sr Sr3 1 0.00000000 3.08557433 3.08557433 1 Sc Sc4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
ScSr3Y
Pm-3m
221
cubic
m-3m
2,803.090349
false
[CIF] data_InNiRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29773145 _cell_length_b 5.29773145 _cell_length_c 2.80027610 _cell_angle_alpha 104.16492805 _cell_angle_beta 104.16492805 _cell_angle_gamma 118.63883303 _symmetry_Int_Tables_number 1 _chemical_formula_structural InNiRh2 _chemical_formula_sum 'In1 Ni1 Rh2' _cell_volume 60.52690229 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.70317542 -0.00000000 0.00000000 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 0.68008890 2.27809137 1.22860730 1 Rh Rh3 1 0.68008890 -2.27809137 1.22860730 1 [/CIF]
InNiRh2
C2/m
12
monoclinic
2/m
10,406.606653
false
[CIF] data_La2TeP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.76406594 _cell_length_b 3.76406594 _cell_length_c 7.67467294 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2TeP _chemical_formula_sum 'La2 Te1 P1' _cell_volume 108.73624283 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.88203297 1.88203297 5.94530949 1 La La1 1 1.88203297 1.88203297 1.72936345 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 0.00000000 0.00000000 3.83733647 1 [/CIF]
La2PTe
P4/mmm
123
tetragonal
4/mmm
6,664.142763
false
[CIF] data_KTc2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11365002 _cell_length_b 3.11365002 _cell_length_c 9.15811062 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTc2Sn _chemical_formula_sum 'K1 Tc2 Sn1' _cell_volume 88.78620146 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.43793322 1 Sn Sn1 1 1.55682501 1.55682501 7.42813931 1 Tc Tc2 1 0.00000000 0.00000000 0.29434314 1 Tc Tc3 1 1.55682501 1.55682501 1.57675035 1 [/CIF]
KSnTc2
P4mm
99
tetragonal
4mm
6,651.056758
false
[CIF] data_Cs2LuPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.01962326 _cell_length_b 6.01962326 _cell_length_c 6.01962326 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs2LuPt _chemical_formula_sum 'Cs2 Lu1 Pt1' _cell_volume 154.23855148 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.12825821 2.12825821 2.12825822 1 Cs Cs1 1 6.38477464 6.38477464 6.38477464 1 Lu Lu2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 4.25651643 4.25651643 4.25651643 1 [/CIF]
Cs2LuPt
Fm-3m
225
cubic
m-3m
6,845.715225
false
[CIF] data_Tm(Mo3S4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.48547929 _cell_length_b 6.48547929 _cell_length_c 6.48547929 _cell_angle_alpha 89.63848600 _cell_angle_beta 89.63848600 _cell_angle_gamma 89.63848600 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm(Mo3S4)2 _chemical_formula_sum 'Tm1 Mo6 S8' _cell_volume 272.77238674 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tm Tm0 1 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 0.90269859 -1.25777574 4.52723071 1 Mo Mo2 1 -1.54061504 -0.15287204 4.52723071 1 Mo Mo3 1 0.63791645 1.41064778 4.52723071 1 Mo Mo4 1 -0.90269859 1.25777574 6.77660324 1 Mo Mo5 1 1.54061504 0.15287204 6.77660324 1 Mo Mo6 1 -0.63791645 -1.41064778 6.77660324 1 S S7 1 -0.00000000 0.00000000 2.66773872 1 S S8 1 -0.00000000 0.00000000 8.63609523 1 S S9 1 -1.76840512 2.27787546 4.70045820 1 S S10 1 2.85690057 0.39254602 4.70045820 1 S S11 1 -1.08849546 -2.67042148 4.70045820 1 S S12 1 1.76840512 -2.27787546 6.60337575 1 S S13 1 -2.85690057 -0.39254602 6.60337575 1 S S14 1 1.08849546 2.67042148 6.60337575 1 [/CIF]
Mo6S8Tm
R-3
148
trigonal
-3
6,095.027806
false
[CIF] data_Sr3SI _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.10310822 _cell_length_b 6.10310822 _cell_length_c 6.10310822 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr3SI _chemical_formula_sum 'Sr3 S1 I1' _cell_volume 227.32814743 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy I I0 1 3.05155411 3.05155411 3.05155411 1 Sr Sr1 1 3.05155411 0.00000000 3.05155411 1 Sr Sr2 1 3.05155411 3.05155411 0.00000000 1 Sr Sr3 1 0.00000000 3.05155411 3.05155411 1 S S4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
ISSr3
Pm-3m
221
cubic
m-3m
3,081.291614
false
[CIF] data_TaBi2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55005435 _cell_length_b 3.55005435 _cell_length_c 8.38690039 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaBi2Te _chemical_formula_sum 'Ta1 Bi2 Te1' _cell_volume 105.69914857 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.77502717 1.77502717 8.30124598 1 Bi Bi1 1 0.00000000 0.00000000 2.48215232 1 Ta Ta2 1 1.77502717 1.77502717 4.37729013 1 Te Te3 1 0.00000000 0.00000000 5.80656246 1 [/CIF]
Bi2TaTe
P4mm
99
tetragonal
4mm
11,413.488772
false
[CIF] data_LaBeHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36475618 _cell_length_b 3.36475618 _cell_length_c 7.67666127 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaBeHg2 _chemical_formula_sum 'La1 Be1 Hg2' _cell_volume 86.91196631 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 1.68237809 1.68237809 1.49086826 1 Hg Hg2 1 1.68237809 1.68237809 6.18579301 1 La La3 1 0.00000000 0.00000000 3.83833064 1 [/CIF]
BeHg2La
P4/mmm
123
tetragonal
4/mmm
10,491.063538
false
[CIF] data_NaMgZnBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16500573 _cell_length_b 5.16500573 _cell_length_c 5.16500573 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMgZnBi _chemical_formula_sum 'Na1 Mg1 Zn1 Bi1' _cell_volume 97.43105975 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.47831587 5.47831587 5.47831587 1 Mg Mg1 1 1.82610529 1.82610529 1.82610529 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 3.65221058 3.65221058 3.65221058 1 [/CIF]
BiMgNaZn
F-43m
216
cubic
-43m
5,482.04008
false
[CIF] data_CaGeRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21483428 _cell_length_b 4.21483428 _cell_length_c 4.15165840 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaGeRh _chemical_formula_sum 'Ca1 Ge1 Rh1' _cell_volume 63.87240241 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 0.00000000 2.43343571 2.07582920 1 Rh Rh2 1 2.10741714 1.21671785 2.07582920 1 [/CIF]
CaGeRh
P-6m2
187
hexagonal
-6m2
5,605.726918
false
[CIF] data_TeAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.17199606 _cell_length_b 6.17199606 _cell_length_c 9.97942538 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TeAs2 _chemical_formula_sum 'Te4 As8' _cell_volume 329.22093784 _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 As As0 1 0.00000000 0.00000000 4.98971269 1 As As1 1 0.00000000 0.00000000 0.00000000 1 As As2 1 1.74379617 4.57018478 7.48456903 1 As As3 1 1.34220186 0.77492060 2.49485635 1 As As4 1 -1.74379617 4.57018478 7.48456903 1 As As5 1 -0.00000000 1.54984121 7.48456903 1 As As6 1 3.08599803 3.79526418 2.49485635 1 As As7 1 4.82979421 0.77492060 2.49485635 1 Te Te8 1 3.08599803 1.78170179 4.53267636 1 Te Te9 1 0.00000000 3.56340359 9.52238905 1 Te Te10 1 0.00000000 3.56340359 5.44674902 1 Te Te11 1 3.08599803 1.78170179 0.45703633 1 [/CIF]
As8Te4
P6_3/mmc
194
hexagonal
6/mmm
5,597.520925
false
[CIF] data_TlZnFePd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52749192 _cell_length_b 4.52749192 _cell_length_c 4.52749192 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlZnFePd _chemical_formula_sum 'Tl1 Zn1 Fe1 Pd1' _cell_volume 65.62329828 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 3.20142024 3.20142024 3.20142024 1 Tl Tl2 1 1.60071012 1.60071012 1.60071012 1 Zn Zn3 1 4.80213036 4.80213036 4.80213036 1 [/CIF]
FePdTlZn
F-43m
216
cubic
-43m
10,932.091023
false
[CIF] data_YMnW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82274310 _cell_length_b 2.82274310 _cell_length_c 9.02381926 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 108.53994899 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMnW2 _chemical_formula_sum 'Y1 Mn1 W2' _cell_volume 68.16920759 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 W W1 1 1.64838797 0.00000000 1.87729217 1 W W2 1 1.64838797 0.00000000 7.14652709 1 Y Y3 1 0.00000000 0.00000000 4.51190963 1 [/CIF]
MnW2Y
Cmmm
65
orthorhombic
mmm
12,460.25062
false
[CIF] data_SiAgSnC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59717945 _cell_length_b 4.59717945 _cell_length_c 4.59717945 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiAgSnC _chemical_formula_sum 'Si1 Ag1 Sn1 C1' _cell_volume 68.70041663 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62534838 1.62534838 1.62534838 1 C C1 1 0.00000000 0.00000000 0.00000000 1 Si Si2 1 4.87604514 4.87604514 4.87604514 1 Sn Sn3 1 3.25069676 3.25069676 3.25069676 1 [/CIF]
CAgSiSn
F-43m
216
cubic
-43m
6,445.71432
false
[CIF] data_TaPBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73143705 _cell_length_b 3.73143705 _cell_length_c 6.70564583 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaPBr2 _chemical_formula_sum 'Ta1 P1 Br2' _cell_volume 93.36688087 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.86571852 0.00000000 3.35282291 1 Br Br1 1 0.00000000 1.86571852 3.35282291 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 1.86571852 1.86571852 0.00000000 1 [/CIF]
Br2PTa
P4/mmm
123
tetragonal
4/mmm
6,611.247875
false
[CIF] data_ZnNiHgMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46199269 _cell_length_b 4.46199269 _cell_length_c 4.46199269 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnNiHgMo _chemical_formula_sum 'Zn1 Ni1 Hg1 Mo1' _cell_volume 62.81618632 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.15510529 3.15510529 3.15510529 1 Mo Mo1 1 4.73265794 4.73265794 4.73265794 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 1.57755265 1.57755265 1.57755265 1 [/CIF]
HgMoNiZn
F-43m
216
cubic
-43m
11,119.133921
false
[CIF] data_MnCrGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80263634 _cell_length_b 4.99086839 _cell_length_c 4.24912115 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.26383830 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCrGe2 _chemical_formula_sum 'Mn1 Cr1 Ge2' _cell_volume 59.43433059 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.34317554 0.00000000 1.01084874 1 Ge Ge1 1 2.56428548 2.49543420 0.08752804 1 Ge Ge2 1 0.92809326 0.00000000 3.10246023 1 Mn Mn3 1 1.14168685 2.49543420 2.17277713 1 [/CIF]
CrGe2Mn
Pm
6
monoclinic
m
7,046.625019
false
[CIF] data_TaRu2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86136350 _cell_length_b 3.93534528 _cell_length_c 5.46044284 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaRu2Se _chemical_formula_sum 'Ta1 Ru2 Se1' _cell_volume 61.48706184 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ru Ru0 1 0.00000000 0.00000000 0.00196762 1 Ru Ru1 1 1.43068175 1.96767264 1.35311084 1 Se Se2 1 0.00000000 0.00000000 2.72074897 1 Ta Ta3 1 1.43068175 1.96767264 4.11483683 1 [/CIF]
Ru2SeTa
Pmm2
25
orthorhombic
mm2
12,478.21139
false
[CIF] data_Ta2AlGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07840715 _cell_length_b 5.07840715 _cell_length_c 2.83269031 _cell_angle_alpha 94.38934531 _cell_angle_beta 94.38934531 _cell_angle_gamma 112.28767925 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2AlGa _chemical_formula_sum 'Ta2 Al1 Ga1' _cell_volume 66.95690861 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 2.82923072 0.00000000 0.00000000 1 Ta Ta2 1 1.22004330 -2.10865317 1.40291671 1 Ta Ta3 1 1.22004330 2.10865317 1.40291671 1 [/CIF]
AlGaTa2
C2/m
12
monoclinic
2/m
11,373.340371
false
[CIF] data_TiSb2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55359053 _cell_length_b 3.55359053 _cell_length_c 7.77521768 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiSb2Te _chemical_formula_sum 'Ti1 Sb2 Te1' _cell_volume 98.18549255 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sb Sb0 1 1.77679526 1.77679526 7.48031487 1 Sb Sb1 1 0.00000000 0.00000000 1.62306604 1 Te Te2 1 1.77679526 1.77679526 4.38169562 1 Ti Ti3 1 0.00000000 0.00000000 5.95296759 1 [/CIF]
Sb2TeTi
P4mm
99
tetragonal
4mm
7,086.019296
false
[CIF] data_TiRe3Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67367529 _cell_length_b 4.67367529 _cell_length_c 4.67367529 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiRe3Pb _chemical_formula_sum 'Ti1 Re3 Pb1' _cell_volume 102.08821439 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.33683765 2.33683765 2.33683765 1 Re Re1 1 0.00000000 2.33683765 0.00000000 1 Re Re2 1 0.00000000 0.00000000 2.33683765 1 Re Re3 1 2.33683765 0.00000000 0.00000000 1 Ti Ti4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PbRe3Ti
Pm-3m
221
cubic
m-3m
13,235.227201
false
[CIF] data_CaNi2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24045814 _cell_length_b 3.24045814 _cell_length_c 7.00251989 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaNi2Sn _chemical_formula_sum 'Ca1 Ni2 Sn1' _cell_volume 73.53044298 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.55124554 1 Ni Ni1 1 1.62022907 1.62022907 0.40158653 1 Ni Ni2 1 0.00000000 0.00000000 1.54190593 1 Sn Sn3 1 1.62022907 1.62022907 3.00904190 1 [/CIF]
CaNi2Sn
P4mm
99
tetragonal
4mm
6,236.859538
false
[CIF] data_ScAg2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75164345 _cell_length_b 3.75164345 _cell_length_c 5.52885673 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScAg2As _chemical_formula_sum 'Sc1 Ag2 As1' _cell_volume 77.81771077 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.87582173 1.87582173 1.38213717 1 Ag Ag1 1 1.87582173 1.87582173 4.14671956 1 As As2 1 0.00000000 0.00000000 2.76442837 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2AsSc
P4/mmm
123
tetragonal
4/mmm
7,161.802175
false
[CIF] data_Be2PdPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12993297 _cell_length_b 3.12993297 _cell_length_c 6.37409415 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2PdPb _chemical_formula_sum 'Be2 Pd1 Pb1' _cell_volume 62.44368839 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.56496649 1.56496649 6.36635759 1 Be Be1 1 0.00000000 0.00000000 1.16473128 1 Pb Pb2 1 1.56496649 1.56496649 3.04709625 1 Pd Pd3 1 0.00000000 0.00000000 5.35705025 1 [/CIF]
Be2PbPd
P4mm
99
tetragonal
4mm
8,819.280809
false
[CIF] data_MnNi7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97093908 _cell_length_b 4.97093908 _cell_length_c 4.97093908 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnNi7 _chemical_formula_sum 'Mn1 Ni7' _cell_volume 86.85609977 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 1.75749236 1.75749236 0.00000000 1 Ni Ni2 1 1.75749237 0.00000000 1.75749237 1 Ni Ni3 1 3.51498473 1.75749237 1.75749237 1 Ni Ni4 1 0.00000000 1.75749237 1.75749237 1 Ni Ni5 1 1.75749237 3.51498473 1.75749237 1 Ni Ni6 1 1.75749237 1.75749237 3.51498473 1 Ni Ni7 1 3.51498473 3.51498473 3.51498473 1 [/CIF]
MnNi7
Fm-3m
225
cubic
m-3m
8,905.138011
false
[CIF] data_LiAl2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60503044 _cell_length_b 3.60503044 _cell_length_c 5.74647904 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAl2Se _chemical_formula_sum 'Li1 Al2 Se1' _cell_volume 74.68264646 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.20997295 1 Al Al1 1 1.80251522 1.80251522 1.37371828 1 Li Li2 1 0.00000000 0.00000000 3.17312407 1 Se Se3 1 1.80251522 1.80251522 3.86290325 1 [/CIF]
Al2LiSe
P4mm
99
tetragonal
4mm
3,109.887874
false
[CIF] data_ZrV2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.82105188 _cell_length_b 8.82105188 _cell_length_c 8.82105188 _cell_angle_alpha 19.44267083 _cell_angle_beta 19.44267083 _cell_angle_gamma 19.44267083 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrV2W _chemical_formula_sum 'Zr1 V2 W1' _cell_volume 66.49219513 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy V V0 1 -0.00000000 -0.00000000 25.69870018 1 V V1 1 -0.00000000 -0.00000000 6.53578478 1 W W2 1 -0.00000000 -0.00000000 13.24231418 1 Zr Zr3 1 -0.00000000 -0.00000000 19.41135449 1 [/CIF]
V2WZr
R3m
160
trigonal
3m
9,413.664536
false
[CIF] data_Mn2InSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03778652 _cell_length_b 5.03778652 _cell_length_c 5.03778652 _cell_angle_alpha 132.05226376 _cell_angle_beta 125.78222288 _cell_angle_gamma 75.25519860 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2InSb _chemical_formula_sum 'Mn2 In1 Sb1' _cell_volume 74.99512575 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Mn Mn1 1 -0.00000000 2.29563370 1.97802181 1 Mn Mn2 1 2.04695314 -0.00000000 2.01188318 1 Sb Sb3 1 -0.00000000 -0.00000000 3.98990499 1 [/CIF]
InMn2Sb
Immm
71
orthorhombic
mmm
7,671.172565
false
[CIF] data_KFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.00510500 _cell_length_b 6.00510500 _cell_length_c 6.00510500 _cell_angle_alpha 28.57904278 _cell_angle_beta 28.57904278 _cell_angle_gamma 28.57904278 _symmetry_Int_Tables_number 1 _chemical_formula_structural KFe _chemical_formula_sum 'K1 Fe1' _cell_volume 43.80496192 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.63407350 1 K K1 1 0.00000000 -0.00000000 -0.00000000 1 [/CIF]
FeK
R-3m
166
trigonal
-3m
3,599.068896
false
[CIF] data_Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93487489 _cell_length_b 3.93487489 _cell_length_c 3.93487489 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Os _chemical_formula_sum Os2 _cell_volume 43.08020771 _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 Os Os0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 1.39118836 1.39118836 1.39118836 1 [/CIF]
Os2
Fd-3m
227
cubic
m-3m
14,664.940745
false
[CIF] data_SrLi2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.54529036 _cell_length_b 6.54529036 _cell_length_c 6.54529036 _cell_angle_alpha 155.19341529 _cell_angle_beta 130.03751353 _cell_angle_gamma 56.56309968 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLi2Re _chemical_formula_sum 'Sr1 Li2 Re1' _cell_volume 89.59843632 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.76421713 2.35029455 1 Li Li1 1 1.40587240 0.00000000 3.41368432 1 Re Re2 1 0.00000000 0.00000000 5.76397887 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Li2ReSr
Immm
71
orthorhombic
mmm
5,332.14701
false
[CIF] data_Hg3SbIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22238699 _cell_length_b 5.22238699 _cell_length_c 5.22238699 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg3SbIr _chemical_formula_sum 'Hg3 Sb1 Ir1' _cell_volume 142.43186221 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sb Sb0 1 0.00000000 0.00000000 0.00000000 1 Ir Ir1 1 2.61119350 2.61119350 2.61119350 1 Hg Hg2 1 2.61119350 0.00000000 2.61119350 1 Hg Hg3 1 2.61119350 2.61119350 0.00000000 1 Hg Hg4 1 0.00000000 2.61119350 2.61119350 1 [/CIF]
Hg3IrSb
Pm-3m
221
cubic
m-3m
10,676.218403
false
[CIF] data_NaGaBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56068686 _cell_length_b 4.56068686 _cell_length_c 5.57890079 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaGaBr2 _chemical_formula_sum 'Na1 Ga1 Br2' _cell_volume 116.04038124 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.28034343 2.28034343 5.31368319 1 Br Br1 1 0.00000000 0.00000000 1.67643687 1 Ga Ga2 1 2.28034343 2.28034343 2.58961428 1 Na Na3 1 0.00000000 0.00000000 4.36751758 1 [/CIF]
Br2GaNa
P4mm
99
tetragonal
4mm
3,613.574844
false
[CIF] data_ZrRhSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.88173241 _cell_length_b 6.88173241 _cell_length_c 6.88173241 _cell_angle_alpha 150.34655939 _cell_angle_beta 148.87136184 _cell_angle_gamma 43.52760463 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrRhSe2 _chemical_formula_sum 'Zr1 Rh1 Se2' _cell_volume 83.12961630 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rh Rh0 1 1.76101203 -0.00000000 3.32376434 1 Se Se1 1 0.00000000 -0.00000000 0.37188015 1 Se Se2 1 0.00000000 1.84650616 3.53615594 1 Zr Zr3 1 0.00000000 0.00000000 5.55060819 1 [/CIF]
RhSe2Zr
Imm2
44
orthorhombic
mm2
7,032.294556
false
[CIF] data_Rh2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28010977 _cell_length_b 5.28010977 _cell_length_c 7.20207537 _cell_angle_alpha 112.06344236 _cell_angle_beta 112.06344236 _cell_angle_gamma 34.90919926 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rh2Pb _chemical_formula_sum 'Rh4 Pb2' _cell_volume 105.62476955 _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 Pb Pb0 1 4.02970568 -0.00000000 1.39838663 1 Pb Pb1 1 3.20835048 -0.00000000 5.22184469 1 Rh Rh2 1 5.89732765 0.00000000 5.67813089 1 Rh Rh3 1 1.34072851 0.00000000 0.94210043 1 Rh Rh4 1 7.20300770 0.00000000 3.17344105 1 Rh Rh5 1 0.03504845 -0.00000000 3.44679027 1 [/CIF]
Pb2Rh4
C2/m
12
monoclinic
2/m
12,985.98621
false
[CIF] data_BIrOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75763961 _cell_length_b 2.75763961 _cell_length_c 5.46582356 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BIrOs _chemical_formula_sum 'B1 Ir1 Os1' _cell_volume 35.99658135 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.46442447 1 Ir Ir1 1 1.37881981 0.79606199 1.55782525 1 Os Os2 1 0.00000000 1.59212397 3.90939740 1 [/CIF]
BIrOs
P3m1
156
trigonal
3m
18,141.174782
false
[CIF] data_HfCr2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73483120 _cell_length_b 4.73483120 _cell_length_c 4.73483120 _cell_angle_alpha 132.06920498 _cell_angle_beta 132.06920498 _cell_angle_gamma 70.11974709 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCr2Si _chemical_formula_sum 'Hf1 Cr2 Si1' _cell_volume 57.34127330 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.92321672 -0.00000000 1.93785329 1 Cr Cr1 1 0.00000000 -0.00000000 3.87570657 1 Hf Hf2 1 0.00000000 1.92321672 1.93785329 1 Si Si3 1 0.00000000 -0.00000000 -0.00000000 1 [/CIF]
Cr2HfSi
I-4m2
119
tetragonal
-42m
8,993.692833
false
[CIF] data_CaPt2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69261942 _cell_length_b 4.69261942 _cell_length_c 3.77042178 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaPt2Pb _chemical_formula_sum 'Ca1 Pt2 Pb1' _cell_volume 83.02724025 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 2.34630971 2.34630971 0.00000000 1 Pt Pt2 1 2.34630971 0.00000000 1.88521089 1 Pt Pt3 1 0.00000000 2.34630971 1.88521089 1 [/CIF]
CaPbPt2
P4/mmm
123
tetragonal
4/mmm
12,748.875943
false
[CIF] data_BaTlIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65566200 _cell_length_b 4.65566200 _cell_length_c 4.87625114 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTlIr _chemical_formula_sum 'Ba1 Tl1 Ir1' _cell_volume 91.53339741 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 0.06436783 1 Ir Ir1 1 -0.00000000 2.68794771 2.29583456 1 Tl Tl2 1 2.32783100 1.34397385 2.51604875 1 [/CIF]
BaIrTl
P3m1
156
trigonal
3m
9,686.16008
false
[CIF] data_CdAgRh4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19955888 _cell_length_b 5.19955888 _cell_length_c 5.19955888 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdAgRh4 _chemical_formula_sum 'Cd1 Ag1 Rh4' _cell_volume 99.39956931 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 1.83832167 1.83832167 1.83832167 1 Rh Rh2 1 2.75736301 2.75736301 4.59592367 1 Rh Rh3 1 2.75736301 4.59592367 2.75736301 1 Rh Rh4 1 4.59592367 2.75736301 2.75736301 1 Rh Rh5 1 4.59592367 4.59592367 4.59592367 1 [/CIF]
AgCdRh4
F-43m
216
cubic
-43m
10,556.349853
false
[CIF] data_ZrGe2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12518586 _cell_length_b 4.12518586 _cell_length_c 3.93469158 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrGe2Ru _chemical_formula_sum 'Zr1 Ge2 Ru1' _cell_volume 66.95726971 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.06259293 1.96734579 1 Ge Ge1 1 2.06259293 0.00000000 1.96734579 1 Ru Ru2 1 2.06259293 2.06259293 0.00000000 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ge2RuZr
P4/mmm
123
tetragonal
4/mmm
8,372.280847
false
[CIF] data_BaCdCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89384034 _cell_length_b 4.89384034 _cell_length_c 3.37698799 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCdCo2 _chemical_formula_sum 'Ba1 Cd1 Co2' _cell_volume 80.87775908 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.44692017 2.44692017 0.00000000 1 Cd Cd1 1 0.00000000 0.00000000 0.00000000 1 Co Co2 1 0.00000000 2.44692017 1.68849400 1 Co Co3 1 2.44692017 0.00000000 1.68849400 1 [/CIF]
BaCdCo2
P4/mmm
123
tetragonal
4/mmm
7,547.793516
false
[CIF] data_MnCuPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98640369 _cell_length_b 3.98640369 _cell_length_c 3.98640369 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCuPt _chemical_formula_sum 'Mn1 Cu1 Pt1' _cell_volume 44.79492666 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.22821962 4.22821962 4.22821962 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 1.40940654 1.40940654 1.40940654 1 [/CIF]
CuMnPt
F-43m
216
cubic
-43m
11,623.905375
false
[CIF] data_FeTcSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51620929 _cell_length_b 4.51620929 _cell_length_c 3.22792885 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeTcSn2 _chemical_formula_sum 'Fe1 Tc1 Sn2' _cell_volume 65.83730924 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 0.00000000 2.25810464 1.61396443 1 Sn Sn2 1 2.25810464 0.00000000 1.61396443 1 Tc Tc3 1 2.25810464 2.25810464 0.00000000 1 [/CIF]
FeSn2Tc
P4/mmm
123
tetragonal
4/mmm
9,891.285138
false
[CIF] data_Ga2WAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49204521 _cell_length_b 5.49204521 _cell_length_c 5.49204521 _cell_angle_alpha 146.55373618 _cell_angle_beta 133.59238941 _cell_angle_gamma 58.40399964 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2WAu _chemical_formula_sum 'Ga2 W1 Au1' _cell_volume 65.57523937 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.16388203 2.42563431 1 Ga Ga1 1 -0.00000000 0.00000000 9.56925159 1 Ga Ga2 1 1.58032061 0.00000000 2.42983695 1 W W3 1 0.00000000 0.00000000 4.75141311 1 [/CIF]
AuGa2W
Imm2
44
orthorhombic
mm2
13,174.175552
false
[CIF] data_Mg4Sc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47426469 _cell_length_b 5.47426469 _cell_length_c 5.47426469 _cell_angle_alpha 100.78984212 _cell_angle_beta 100.78984212 _cell_angle_gamma 128.72518722 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg4Sc _chemical_formula_sum 'Mg4 Sc1' _cell_volume 115.38476535 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.86862293 1.40499207 0.00000000 1 Mg Mg1 1 1.40499207 4.11098012 0.00000000 1 Mg Mg2 1 0.62117860 2.08480946 2.36857436 1 Mg Mg3 1 2.08480946 -0.62117860 2.36857436 1 Sc Sc4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mg4Sc
I4/m
87
tetragonal
4/m
2,046.099028
false
[CIF] data_InPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24857872 _cell_length_b 5.24857872 _cell_length_c 10.41740078 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InPb _chemical_formula_sum 'In4 Pb4' _cell_volume 248.52691828 _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 In In0 1 0.00000000 0.00000000 2.60435019 1 In In1 1 0.00000000 0.00000000 7.81305059 1 In In2 1 2.62428936 1.51513417 7.81305059 1 In In3 1 -0.00000000 3.03026834 2.60435019 1 Pb Pb4 1 2.62428936 1.51513417 0.79260992 1 Pb Pb5 1 0.00000000 3.03026834 6.00131031 1 Pb Pb6 1 -0.00000000 3.03026834 9.62479086 1 Pb Pb7 1 2.62428936 1.51513417 4.41609047 1 [/CIF]
In4Pb4
P6_3/mmc
194
hexagonal
6/mmm
8,606.286563
false
[CIF] data_BeSb2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33008789 _cell_length_b 5.33008789 _cell_length_c 3.27006228 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeSb2Br _chemical_formula_sum 'Be1 Sb2 Br1' _cell_volume 92.90193608 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Br Br1 1 2.66504394 2.66504394 0.00000000 1 Sb Sb2 1 2.66504394 0.00000000 1.63503114 1 Sb Sb3 1 0.00000000 2.66504394 1.63503114 1 [/CIF]
BeBrSb2
P4/mmm
123
tetragonal
4/mmm
5,941.999604
false
[CIF] data_K3CoO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.83008685 _cell_length_b 7.18871216 _cell_length_c 5.98416285 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K3CoO2 _chemical_formula_sum 'K12 Co4 O8' _cell_volume 508.91169499 _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 Co Co0 1 1.39454347 5.39153412 1.05070392 1 Co Co1 1 7.30958690 5.39153412 1.94137750 1 Co Co2 1 4.52049995 1.79717804 4.04278535 1 Co Co3 1 10.43554338 1.79717804 4.93345893 1 K K4 1 4.25606628 3.59764959 0.98521911 1 K K5 1 4.25606628 7.18541865 0.98521911 1 K K6 1 1.11107756 1.79717804 1.28383943 1 K K7 1 7.02612098 1.79717804 1.70824200 1 K K8 1 10.17110970 3.59764959 2.00686232 1 K K9 1 10.17110970 7.18541865 2.00686232 1 K K10 1 1.65897715 0.00329351 3.97730053 1 K K11 1 1.65897715 3.59106257 3.97730053 1 K K12 1 4.80396587 5.39153412 4.27592085 1 K K13 1 10.71900929 5.39153412 4.70032342 1 K K14 1 7.57402057 0.00329351 4.99894374 1 K K15 1 7.57402057 3.59106257 4.99894374 1 O O16 1 9.25140409 1.79717804 0.25722002 1 O O17 1 6.21373650 5.39153412 0.56483963 1 O O18 1 0.29869307 5.39153412 2.42724180 1 O O19 1 3.33636067 1.79717804 2.73486140 1 O O20 1 8.49372618 5.39153412 3.24930145 1 O O21 1 11.53139378 1.79717804 3.55692105 1 O O22 1 5.61635035 1.79717804 5.41932322 1 O O23 1 2.57868276 5.39153412 5.72694283 1 [/CIF]
Co4K12O8
Pnma
62
orthorhombic
mmm
2,717.712305
false
[CIF] data_CuOsCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.50441577 _cell_length_b 6.50441577 _cell_length_c 6.50441577 _cell_angle_alpha 154.05742194 _cell_angle_beta 140.07550839 _cell_angle_gamma 48.23140038 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuOsCl2 _chemical_formula_sum 'Cu1 Os1 Cl2' _cell_volume 76.98966927 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.45999917 0.00000000 4.05138393 1 Cl Cl1 1 -0.00000000 2.22061322 1.88534108 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 0.00000000 0.00000000 5.93672501 1 [/CIF]
Cl2CuOs
Immm
71
orthorhombic
mmm
7,002.850517
false
[CIF] data_CaTiIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.98774358 _cell_length_b 2.98774358 _cell_length_c 8.54718558 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTiIr2 _chemical_formula_sum 'Ca1 Ti1 Ir2' _cell_volume 76.29740680 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.76367411 1 Ir Ir1 1 1.49387179 1.49387179 0.25345747 1 Ir Ir2 1 0.00000000 0.00000000 2.17664996 1 Ti Ti3 1 1.49387179 1.49387179 3.62699675 1 [/CIF]
CaIr2Ti
P4mm
99
tetragonal
4mm
10,280.870827
false
[CIF] data_GaCu2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83846179 _cell_length_b 4.83846179 _cell_length_c 4.83846179 _cell_angle_alpha 142.39273048 _cell_angle_beta 128.96132351 _cell_angle_gamma 65.10176492 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaCu2Ir _chemical_formula_sum 'Ga1 Cu2 Ir1' _cell_volume 53.03367404 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 -0.00000000 8.07555927 1 Cu Cu1 1 0.00000000 2.08448535 2.01742659 1 Ga Ga2 1 0.00000000 0.00000000 4.13441557 1 Ir Ir3 1 1.55956082 -0.00000000 2.08622646 1 [/CIF]
Cu2GaIr
Imm2
44
orthorhombic
mm2
12,180.993414
false
[CIF] data_MnVCrAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22591576 _cell_length_b 4.22591576 _cell_length_c 4.22591576 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnVCrAg _chemical_formula_sum 'Mn1 V1 Cr1 Ag1' _cell_volume 53.36389346 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.49408685 1.49408685 1.49408685 1 Cr Cr1 1 4.48226054 4.48226054 4.48226054 1 Mn Mn2 1 2.98817369 2.98817369 2.98817369 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgCrMnV
F-43m
216
cubic
-43m
8,269.224896
false
[CIF] data_CuPt2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79571411 _cell_length_b 3.98078899 _cell_length_c 5.38830519 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuPt2W _chemical_formula_sum 'Cu1 Pt2 W1' _cell_volume 59.96724565 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.08587149 1 Pt Pt1 1 1.39785706 1.99039450 5.25431000 1 Pt Pt2 1 0.00000000 0.00000000 1.46605234 1 W W3 1 1.39785706 1.99039450 2.66452915 1 [/CIF]
CuPt2W
Pmm2
25
orthorhombic
mm2
17,654.359686
false
[CIF] data_BiPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05299818 _cell_length_b 5.05299818 _cell_length_c 5.05299818 _cell_angle_alpha 137.41448565 _cell_angle_beta 137.41448565 _cell_angle_gamma 61.80093481 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiPt2 _chemical_formula_sum 'Bi1 Pt2' _cell_volume 58.39261865 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Pt Pt1 1 0.00000000 -0.00000000 2.85635647 1 Pt Pt2 1 0.00000000 0.00000000 5.81520201 1 [/CIF]
BiPt2
I4/mmm
139
tetragonal
4/mmm
17,038.272095
false
[CIF] data_NaRe2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.76040533 _cell_length_b 3.76040533 _cell_length_c 4.87023582 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaRe2Hg _chemical_formula_sum 'Na1 Re2 Hg1' _cell_volume 68.86829161 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 1.88020267 1.88020267 0.00000000 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 0.00000000 1.88020267 2.43511791 1 Re Re3 1 1.88020267 0.00000000 2.43511791 1 [/CIF]
HgNaRe2
P4/mmm
123
tetragonal
4/mmm
14,370.487699
false
[CIF] data_CdSnHgPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37451346 _cell_length_b 5.37451346 _cell_length_c 5.37451346 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdSnHgPb _chemical_formula_sum 'Cd1 Sn1 Hg1 Pb1' _cell_volume 109.77475227 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 5.70053237 5.70053236 5.70053236 1 Pb Pb2 1 1.90017746 1.90017745 1.90017745 1 Sn Sn3 1 3.80035491 3.80035491 3.80035491 1 [/CIF]
CdHgPbSn
F-43m
216
cubic
-43m
9,664.669276
false