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_ReMoBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68377661 _cell_length_b 4.68377661 _cell_length_c 4.68377661 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReMoBr2 _chemical_formula_sum 'Re1 Mo1 Br2' _cell_volume 72.65634079 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Br Br1 1 4.96789530 4.96789530 4.96789530 1 Mo Mo2 1 3.31193020 3.31193020 3.31193020 1 Re Re3 1 1.65596510 1.65596510 1.65596510 1 [/CIF]
Br2MoRe
F-43m
216
cubic
-43m
10,101.207217
false
[CIF] data_MnMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06327386 _cell_length_b 4.06327386 _cell_length_c 4.06327386 _cell_angle_alpha 126.14101264 _cell_angle_beta 111.30867510 _cell_angle_gamma 92.68432298 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnMo2 _chemical_formula_sum 'Mn1 Mo2' _cell_volume 47.33419381 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 -0.00000000 2.29243507 1.27596185 1 Mo Mo2 1 1.84023118 -0.00000000 1.52912017 1 [/CIF]
Mn2Mo4
Immm
71
orthorhombic
mmm
8,660.069912
false
[CIF] data_BeC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.30873437 _cell_length_b 2.30873437 _cell_length_c 2.69640260 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 105.16720503 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeC _chemical_formula_sum 'Be1 C1' _cell_volume 13.87186563 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 C C1 1 1.40279432 0.00000000 1.34820130 1 [/CIF]
CBe
Cmmm
65
orthorhombic
mmm
2,516.555292
false
[CIF] data_Sr2BP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13346350 _cell_length_b 5.13346350 _cell_length_c 5.13346350 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2BP _chemical_formula_sum 'Sr2 B1 P1' _cell_volume 95.65692962 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 P P1 1 3.62990685 3.62990685 3.62990685 1 Sr Sr2 1 5.44486027 5.44486027 5.44486027 1 Sr Sr3 1 1.81495342 1.81495342 1.81495343 1 [/CIF]
BPSr2
Fm-3m
225
cubic
m-3m
3,767.401872
false
[CIF] data_Ca2AlAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20944263 _cell_length_b 5.20944263 _cell_length_c 5.20944263 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2AlAu _chemical_formula_sum 'Ca2 Al1 Au1' _cell_volume 99.96748844 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Au Au1 1 3.68363221 3.68363221 3.68363221 1 Ca Ca2 1 5.52544832 5.52544832 5.52544831 1 Ca Ca3 1 1.84181611 1.84181611 1.84181610 1 [/CIF]
AlAuCa2
Fm-3m
225
cubic
m-3m
5,051.409802
false
[CIF] data_Sc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25609662 _cell_length_b 3.25609662 _cell_length_c 3.25609662 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc _chemical_formula_sum Sc1 _cell_volume 24.41050997 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sc Sc0 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Sc
Fm-3m
225
cubic
m-3m
3,058.151929
false
[CIF] data_TbNd2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25228013 _cell_length_b 5.25228013 _cell_length_c 5.25228013 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbNd2Re _chemical_formula_sum 'Tb1 Nd2 Re1' _cell_volume 102.45393573 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nd Nd0 1 1.85696145 1.85696145 1.85696145 1 Nd Nd1 1 5.57088435 5.57088435 5.57088435 1 Re Re2 1 3.71392290 3.71392290 3.71392290 1 Tb Tb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Nd2ReTb
Fm-3m
225
cubic
m-3m
10,269.441529
false
[CIF] data_MnInMoW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47702165 _cell_length_b 4.47702165 _cell_length_c 4.47702165 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnInMoW _chemical_formula_sum 'Mn1 In1 Mo1 W1' _cell_volume 63.45306233 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.16573237 3.16573237 3.16573237 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 4.74859856 4.74859856 4.74859856 1 W W3 1 1.58286619 1.58286619 1.58286619 1 [/CIF]
InMnMoW
F-43m
216
cubic
-43m
11,764.686336
false
[CIF] data_V2TcPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.68273516 _cell_length_b 3.88805776 _cell_length_c 5.53353965 _cell_angle_alpha 90.00000000 _cell_angle_beta 97.85565857 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2TcPt _chemical_formula_sum 'V2 Tc1 Pt1' _cell_volume 57.17664530 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 -0.37815642 0.00000000 2.74080517 1 Tc Tc1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 0.93110307 1.94402888 1.30534870 1 V V3 1 0.99531926 1.94402888 4.17626165 1 [/CIF]
PtTcV2
P2/m
10
monoclinic
2/m
11,497.052872
false
[CIF] data_GeBi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39028248 _cell_length_b 5.34581814 _cell_length_c 6.47075428 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.31945727 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeBi3 _chemical_formula_sum 'Ge1 Bi3' _cell_volume 115.37786610 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.04531819 2.67290907 4.87818353 1 Bi Bi1 1 1.11556767 0.00000000 3.18304252 1 Bi Bi2 1 2.27645353 2.67290907 1.48790151 1 Ge Ge3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi3Ge
P2/m
10
monoclinic
2/m
10,068.498856
false
[CIF] data_Ca4Mg2Cu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.88775138 _cell_length_b 8.88775138 _cell_length_c 7.59483269 _cell_angle_alpha 105.62876321 _cell_angle_beta 105.62876321 _cell_angle_gamma 23.57639529 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca4Mg2Cu3 _chemical_formula_sum 'Ca4 Mg2 Cu3' _cell_volume 230.68974616 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.37514130 0.00000000 5.37901121 1 Ca Ca1 1 3.93531159 0.00000000 1.92254572 1 Ca Ca2 1 6.26569059 -0.00000000 4.70609944 1 Ca Ca3 1 9.04476230 -0.00000000 2.59545750 1 Cu Cu4 1 15.24473065 -0.00000000 2.23569913 1 Cu Cu5 1 0.06572225 0.00000000 5.06585781 1 Cu Cu6 1 0.00000000 0.00000000 0.00000000 1 Mg Mg7 1 8.56533318 0.00000000 7.04497541 1 Mg Mg8 1 6.74511972 0.00000000 0.25658153 1 [/CIF]
Ca4Cu3Mg2
C2/m
12
monoclinic
2/m
2,876.092243
false
[CIF] data_YV2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29938459 _cell_length_b 4.29938459 _cell_length_c 4.29938459 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YV2B _chemical_formula_sum 'Y1 V2 B1' _cell_volume 56.19580403 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 V V1 1 1.52006200 1.52006200 1.52006200 1 V V2 1 4.56018600 4.56018600 4.56018600 1 Y Y3 1 3.04012400 3.04012400 3.04012400 1 [/CIF]
BV2Y
Fm-3m
225
cubic
m-3m
5,957.107163
false
[CIF] data_Cu2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42676674 _cell_length_b 4.42676674 _cell_length_c 4.42676674 _cell_angle_alpha 135.33000076 _cell_angle_beta 135.33000076 _cell_angle_gamma 65.01788314 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2As _chemical_formula_sum 'Cu2 As1' _cell_volume 42.25924200 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 0.00000000 1 Cu Cu1 1 -0.00000000 0.00000000 4.98491030 1 Cu Cu2 1 -0.00000000 0.00000000 2.48134164 1 [/CIF]
AsCu2
I4/mmm
139
tetragonal
4/mmm
7,937.943486
false
[CIF] data_BaCaCu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54505720 _cell_length_b 5.54505720 _cell_length_c 5.54505720 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCaCu4 _chemical_formula_sum 'Ba1 Ca1 Cu4' _cell_volume 120.55995971 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 5.88142133 5.88142133 5.88142133 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Cu Cu2 1 4.94389135 4.94389135 2.89800375 1 Cu Cu3 1 4.94389135 2.89800375 4.94389135 1 Cu Cu4 1 2.89800375 4.94389135 4.94389135 1 Cu Cu5 1 2.89800375 2.89800375 2.89800375 1 [/CIF]
BaCaCu4
F-43m
216
cubic
-43m
5,944.514223
false
[CIF] data_CuRuPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13982120 _cell_length_b 4.13982120 _cell_length_c 4.13982120 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuRuPt _chemical_formula_sum 'Cu1 Ru1 Pt1' _cell_volume 50.16834257 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 0.00000000 1 Pt Pt1 1 4.39094346 4.39094346 4.39094346 1 Ru Ru2 1 2.92729564 2.92729564 2.92729564 1 [/CIF]
CuPtRu
F-43m
216
cubic
-43m
11,905.832875
false
[CIF] data_MgCo2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.77578405 _cell_length_b 7.77578405 _cell_length_c 7.77578405 _cell_angle_alpha 23.67531369 _cell_angle_beta 23.67531369 _cell_angle_gamma 23.67531369 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCo2Te _chemical_formula_sum 'Mg1 Co2 Te1' _cell_volume 66.58585228 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.50368952 1 Co Co1 1 -0.00000000 0.00000000 17.15977206 1 Mg Mg2 1 -0.00000000 0.00000000 -0.00000000 1 Te Te3 1 0.00000000 0.00000000 11.33173079 1 [/CIF]
Co2MgTe
R-3m
166
trigonal
-3m
6,727.644337
false
[CIF] data_CaHgOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75064216 _cell_length_b 5.75064216 _cell_length_c 5.75064216 _cell_angle_alpha 149.49172100 _cell_angle_beta 130.27134793 _cell_angle_gamma 59.47168409 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHgOs2 _chemical_formula_sum 'Ca1 Hg1 Os2' _cell_volume 73.07148297 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 0.00000000 0.00000000 4.99340568 1 Os Os2 1 1.51299923 -0.00000000 2.63256083 1 Os Os3 1 0.00000000 2.41797815 2.36084485 1 [/CIF]
CaHgOs2
Immm
71
orthorhombic
mmm
14,115.045535
false
[CIF] data_ZnCdSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51531322 _cell_length_b 5.51531322 _cell_length_c 5.51531322 _cell_angle_alpha 136.01321808 _cell_angle_beta 120.49678635 _cell_angle_gamma 76.88007076 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCdSb2 _chemical_formula_sum 'Zn1 Cd1 Sb2' _cell_volume 97.68322327 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.31992004 1 Sb Sb1 1 2.06548282 -0.00000000 1.97020900 1 Sb Sb2 1 0.00000000 2.73692373 2.34971104 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdSb2Zn
Immm
71
orthorhombic
mmm
7,161.960378
false
[CIF] data_KV2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64022976 _cell_length_b 4.64022976 _cell_length_c 4.64022976 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KV2Mo _chemical_formula_sum 'K1 V2 Mo1' _cell_volume 70.64858332 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 3.28113793 3.28113793 3.28113793 1 V V2 1 1.64056896 1.64056897 1.64056897 1 V V3 1 4.92170689 4.92170689 4.92170689 1 [/CIF]
KMoV2
Fm-3m
225
cubic
m-3m
5,569.117831
false
[CIF] data_GaAsAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45864556 _cell_length_b 4.45864556 _cell_length_c 4.45864556 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaAsAu _chemical_formula_sum 'Ga1 As1 Au1' _cell_volume 62.67492897 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.15273851 3.15273851 3.15273851 1 Au Au1 1 1.57636926 1.57636926 1.57636926 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsAuGa
F-43m
216
cubic
-43m
9,050.807093
false
[CIF] data_NbSnPd4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26304806 _cell_length_b 5.26304806 _cell_length_c 5.26304806 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbSnPd4 _chemical_formula_sum 'Nb1 Sn1 Pd4' _cell_volume 103.08536397 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 0.00000000 0.00000000 1 Pd Pd1 1 4.65561878 4.65561878 2.78745516 1 Pd Pd2 1 4.65561878 2.78745516 4.65561878 1 Pd Pd3 1 2.78745516 4.65561878 4.65561878 1 Pd Pd4 1 2.78745516 2.78745516 2.78745516 1 Sn Sn5 1 5.58230546 5.58230546 5.58230546 1 [/CIF]
NbPd4Sn
F-43m
216
cubic
-43m
10,265.817525
false
[CIF] data_BaAl2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05221352 _cell_length_b 5.05221352 _cell_length_c 5.05221352 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaAl2Pt _chemical_formula_sum 'Ba1 Al2 Pt1' _cell_volume 91.18640462 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Al Al1 1 1.78622722 1.78622722 1.78622722 1 Ba Ba2 1 3.57245444 3.57245444 3.57245444 1 Pt Pt3 1 5.35868166 5.35868166 5.35868166 1 [/CIF]
Al2BaPt
F-43m
216
cubic
-43m
7,036.018715
false
[CIF] data_SbTe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42348231 _cell_length_b 5.42348231 _cell_length_c 5.42348231 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbTe3 _chemical_formula_sum 'Sb1 Te3' _cell_volume 112.80274972 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Te Te1 1 1.91749056 1.91749056 1.91749056 1 Te Te2 1 3.83498112 3.83498112 3.83498112 1 Te Te3 1 5.75247168 5.75247168 5.75247168 1 [/CIF]
SbTe3
Fm-3m
225
cubic
m-3m
7,427.492623
false
[CIF] data_KNaIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.71067290 _cell_length_b 5.71067290 _cell_length_c 5.71067290 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNaIn2 _chemical_formula_sum 'K1 Na1 In2' _cell_volume 131.68819847 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.05708329 6.05708330 6.05708330 1 In In1 1 2.01902777 2.01902776 2.01902777 1 K K2 1 4.03805553 4.03805553 4.03805553 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
In2KNa
Fm-3m
225
cubic
m-3m
3,678.531709
false
[CIF] data_LaFeAgIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84400556 _cell_length_b 4.84400556 _cell_length_c 4.84400556 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaFeAgIr _chemical_formula_sum 'La1 Fe1 Ag1 Ir1' _cell_volume 80.37091288 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.71261459 1.71261459 1.71261459 1 Fe Fe1 1 0.00000000 -0.00000000 0.00000000 1 Ir Ir2 1 5.13784377 5.13784377 5.13784377 1 La La3 1 3.42522918 3.42522918 3.42522918 1 [/CIF]
AgFeIrLa
F-43m
216
cubic
-43m
10,223.772907
false
[CIF] data_B2Se6Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31225072 _cell_length_b 7.07726719 _cell_length_c 9.57923086 _cell_angle_alpha 97.30378285 _cell_angle_beta 98.55225182 _cell_angle_gamma 98.17758699 _symmetry_Int_Tables_number 1 _chemical_formula_structural B2Se6Br _chemical_formula_sum 'B2 Se6 Br1' _cell_volume 217.26176351 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.83755231 4.65851105 7.27229440 1 B B1 1 0.04347574 0.91176511 2.09109397 1 Br Br2 1 0.00000000 0.00000000 0.00000000 1 Se Se3 1 0.76740113 2.66305329 7.67471804 1 Se Se4 1 0.11362693 2.90722287 1.68867033 1 Se Se5 1 -0.80822815 5.45610316 6.39289489 1 Se Se6 1 1.68925620 0.11417299 2.97049348 1 Se Se7 1 0.80382056 1.78431810 5.50728839 1 Se Se8 1 0.07720749 3.78595806 3.85609998 1 [/CIF]
B2BrSe6
P-1
2
triclinic
-1
4,396.930514
false
[CIF] data_Cr2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.25049040 _cell_length_b 6.11484575 _cell_length_c 2.43427066 _cell_angle_alpha 81.79559679 _cell_angle_beta 75.53168026 _cell_angle_gamma 22.67272295 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2Co _chemical_formula_sum 'Cr2 Co1' _cell_volume 33.75114015 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cr Cr1 1 1.45746045 1.94973913 3.96867969 1 Cr Cr2 1 1.45746045 1.94973913 7.90855022 1 [/CIF]
CoCr2
Fmmm
69
orthorhombic
mmm
8,015.847743
false
[CIF] data_HfTaRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62313016 _cell_length_b 5.62313016 _cell_length_c 5.62313016 _cell_angle_alpha 146.58903478 _cell_angle_beta 146.58903478 _cell_angle_gamma 47.97267111 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTaRh _chemical_formula_sum 'Hf1 Ta1 Rh1' _cell_volume 53.69104453 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.21046351 1 Rh Rh1 1 0.00000000 -0.00000000 3.38304615 1 Ta Ta2 1 0.00000000 0.00000000 6.95661166 1 [/CIF]
HfRhTa
I4mm
107
tetragonal
4mm
14,299.204856
false
[CIF] data_LiReAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.68971774 _cell_length_b 2.68971774 _cell_length_c 9.33423482 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.07215523 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiReAg2 _chemical_formula_sum 'Li1 Re1 Ag2' _cell_volume 64.55365912 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.59854364 0.00000000 7.06788643 1 Ag Ag1 1 1.59854364 0.00000000 2.26634839 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 0.00000000 0.00000000 4.66711741 1 [/CIF]
Ag2LiRe
Cmmm
65
orthorhombic
mmm
10,517.893628
false
[CIF] data_Zr2ScCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28392639 _cell_length_b 4.46472955 _cell_length_c 6.22100418 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2ScCd _chemical_formula_sum 'Zr2 Sc1 Cd1' _cell_volume 91.21138779 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.11050209 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 1.64196320 2.23236477 1.51754162 1 Zr Zr3 1 1.64196320 2.23236477 4.70346256 1 [/CIF]
CdScZr2
Pmmm
47
orthorhombic
mmm
6,186.463669
false
[CIF] data_FeSbW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.90692389 _cell_length_b 5.90692389 _cell_length_c 5.90692389 _cell_angle_alpha 150.86490361 _cell_angle_beta 150.86490361 _cell_angle_gamma 41.67328184 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeSbW _chemical_formula_sum 'Fe1 Sb1 W1' _cell_volume 48.74368901 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.14265654 1 Sb Sb1 1 0.00000000 -0.00000000 3.77475472 1 W W2 1 0.00000000 -0.00000000 7.12379188 1 [/CIF]
FeSbW
I4mm
107
tetragonal
4mm
12,313.256447
false
[CIF] data_CaZrTaCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70840931 _cell_length_b 4.70840931 _cell_length_c 4.70840931 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaZrTaCo _chemical_formula_sum 'Ca1 Zr1 Ta1 Co1' _cell_volume 73.80871269 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Co Co1 1 3.32934815 3.32934815 3.32934815 1 Ta Ta2 1 1.66467407 1.66467407 1.66467408 1 Zr Zr3 1 4.99402223 4.99402223 4.99402223 1 [/CIF]
CaCoTaZr
F-43m
216
cubic
-43m
8,350.829793
false
[CIF] data_K2NClO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.38607000 _cell_length_b 5.41476200 _cell_length_c 9.78899400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2NClO3 _chemical_formula_sum 'K8 N4 Cl4 O12' _cell_volume 391.49917753 _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 Cl Cl0 1 5.73972750 4.06107150 8.99117050 1 Cl Cl1 1 5.33937750 1.35369050 4.09667350 1 Cl Cl2 1 2.04669250 4.06107150 5.69232050 1 Cl Cl3 1 1.64634250 1.35369050 0.79782350 1 K K4 1 0.12831750 4.06107150 1.90386650 1 K K5 1 3.56471750 1.35369050 6.79836350 1 K K6 1 3.82135250 4.06107150 2.99063050 1 K K7 1 7.25775250 1.35369050 7.88512750 1 K K8 1 6.21528750 4.06107150 5.83296050 1 K K9 1 4.86381750 1.35369050 0.93846350 1 K K10 1 2.52225250 4.06107150 8.85053050 1 K K11 1 1.17078250 1.35369050 3.95603350 1 N N12 1 7.16598750 4.06107150 8.86289050 1 N N13 1 3.91311750 1.35369050 3.96839350 1 N N14 1 3.47295250 4.06107150 5.82060050 1 N N15 1 0.22008250 1.35369050 0.92610350 1 O O16 1 5.17809750 4.06107150 0.62358650 1 O O17 1 5.90100750 1.35369050 5.51808350 1 O O18 1 1.48506250 4.06107150 4.27091050 1 O O19 1 2.20797250 1.35369050 9.16540750 1 O O20 1 5.04155750 5.25534100 8.36445050 1 O O21 1 6.03754750 0.15942100 3.46995350 1 O O22 1 1.34852250 2.86680200 6.31904050 1 O O23 1 2.34451250 2.54796000 1.42454350 1 O O24 1 2.34451250 0.15942100 1.42454350 1 O O25 1 1.34852250 5.25534100 6.31904050 1 O O26 1 6.03754750 2.54796000 3.46995350 1 O O27 1 5.04155750 2.86680200 8.36445050 1 [/CIF]
Cl4K8N4O12
Pnma
62
orthorhombic
mmm
2,980.145821
false
[CIF] data_V2TcPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74064934 _cell_length_b 4.74064934 _cell_length_c 4.77736056 _cell_angle_alpha 96.98442425 _cell_angle_beta 96.98442425 _cell_angle_gamma 32.41418411 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2TcPd _chemical_formula_sum 'V2 Tc1 Pd1' _cell_volume 57.08830662 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.26333662 0.00000000 2.28753168 1 Tc Tc1 1 1.75506699 0.00000000 3.64159631 1 V V2 1 8.50676283 -0.00000000 4.67849350 1 V V3 1 6.72367640 0.00000000 1.23963276 1 [/CIF]
PdTcV2
Cm
8
monoclinic
m
8,935.855843
false
[CIF] data_BaZn2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.72619971 _cell_length_b 3.72619971 _cell_length_c 7.22608337 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaZn2Ag _chemical_formula_sum 'Ba1 Zn2 Ag1' _cell_volume 100.33101903 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.13997053 1 Ba Ba1 1 1.86309986 1.86309986 5.43454776 1 Zn Zn2 1 0.00000000 0.00000000 0.47612707 1 Zn Zn3 1 1.86309986 1.86309986 1.78847977 1 [/CIF]
AgBaZn2
P4mm
99
tetragonal
4mm
6,222.286018
false
[CIF] data_YTaReSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80839114 _cell_length_b 4.80839114 _cell_length_c 4.80839114 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTaReSn _chemical_formula_sum 'Y1 Ta1 Re1 Sn1' _cell_volume 78.61118922 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.40004598 3.40004598 3.40004598 1 Sn Sn1 1 1.70002299 1.70002299 1.70002299 1 Ta Ta2 1 5.10006897 5.10006897 5.10006897 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
ReSnTaY
F-43m
216
cubic
-43m
12,141.137426
false
[CIF] data_Ca4LaSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.87814326 _cell_length_b 6.87814326 _cell_length_c 6.87814326 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca4LaSe _chemical_formula_sum 'Ca4 La1 Se1' _cell_volume 230.09048178 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.07066154 6.07066154 3.65650194 1 Ca Ca1 1 6.07066154 3.65650194 6.07066154 1 Ca Ca2 1 3.65650194 6.07066154 6.07066154 1 Ca Ca3 1 3.65650194 3.65650194 3.65650194 1 La La4 1 7.29537261 7.29537261 7.29537261 1 Se Se5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ca4LaSe
F-43m
216
cubic
-43m
2,729.267452
false
[CIF] data_Hg2Mo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48526950 _cell_length_b 4.48526950 _cell_length_c 5.64306562 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg2Mo3 _chemical_formula_sum 'Hg2 Mo3' _cell_volume 98.31568698 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.24263475 1.29478578 0.95253983 1 Hg Hg1 1 -0.00000000 2.58957155 4.69052579 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Mo Mo3 1 2.24263475 1.29478578 3.63556184 1 Mo Mo4 1 -0.00000000 2.58957155 2.00750378 1 [/CIF]
Hg2Mo3
P-3m1
164
trigonal
-3m
11,638.133084
false
[CIF] data_IrSeCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.01721187 _cell_length_b 3.01721187 _cell_length_c 9.95558956 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural IrSeCl2 _chemical_formula_sum 'Ir1 Se1 Cl2' _cell_volume 90.63138125 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.50860594 1.50860594 3.44652197 1 Cl Cl1 1 1.50860594 1.50860594 6.50906759 1 Ir Ir2 1 0.00000000 0.00000000 4.97779478 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cl2IrSe
P4/mmm
123
tetragonal
4/mmm
6,267.610376
false
[CIF] data_TlZn2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23847175 _cell_length_b 3.23847175 _cell_length_c 6.81078604 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlZn2Mo _chemical_formula_sum 'Tl1 Zn2 Mo1' _cell_volume 71.42947582 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 0.00000000 0.00000000 3.10363141 1 Tl Tl1 1 1.61923587 1.61923587 5.09730710 1 Zn Zn2 1 0.00000000 0.00000000 0.33180801 1 Zn Zn3 1 1.61923587 1.61923587 1.68343261 1 [/CIF]
MoTlZn2
P4mm
99
tetragonal
4mm
10,021.967307
false
[CIF] data_Tc2AsPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.31568152 _cell_length_b 8.31568152 _cell_length_c 8.31568152 _cell_angle_alpha 21.92612802 _cell_angle_beta 21.92612802 _cell_angle_gamma 21.92612802 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc2AsPb _chemical_formula_sum 'Tc2 As1 Pb1' _cell_volume 70.28520848 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 -0.00000000 -0.00000000 12.16905339 1 Tc Tc2 1 -0.00000000 -0.00000000 17.98452791 1 Tc Tc3 1 -0.00000000 -0.00000000 6.35357887 1 [/CIF]
AsPbTc2
R-3m
166
trigonal
-3m
11,338.789123
false
[CIF] data_CrCdInHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95994512 _cell_length_b 4.95994512 _cell_length_c 4.95994512 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrCdInHg _chemical_formula_sum 'Cr1 Cd1 In1 Hg1' _cell_volume 86.28108867 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.75360542 1.75360542 1.75360542 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Hg Hg2 1 3.50721083 3.50721083 3.50721083 1 In In3 1 5.26081625 5.26081625 5.26081625 1 [/CIF]
CdCrHgIn
F-43m
216
cubic
-43m
9,234.372567
false
[CIF] data_YSiRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42063622 _cell_length_b 4.42063622 _cell_length_c 4.42063622 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YSiRu _chemical_formula_sum 'Y1 Si1 Ru1' _cell_volume 61.08566920 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.56293093 1.56293093 1.56293092 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 3.12586185 3.12586185 3.12586185 1 [/CIF]
RuSiY
F-43m
216
cubic
-43m
5,927.730601
false
[CIF] data_Ba(GaB)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44154006 _cell_length_b 5.44154006 _cell_length_c 5.44154006 _cell_angle_alpha 133.90874916 _cell_angle_beta 133.90874916 _cell_angle_gamma 67.23056843 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba(GaB)2 _chemical_formula_sum 'Ba1 Ga2 B2' _cell_volume 82.25004015 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.43683015 1 B B1 1 0.00000000 -0.00000000 3.62631153 1 Ba Ba2 1 0.00000000 0.00000000 0.00000000 1 Ga Ga3 1 -0.00000000 2.13016712 2.26578542 1 Ga Ga4 1 2.13016712 0.00000000 2.26578542 1 [/CIF]
B2BaGa2
I4/mmm
139
tetragonal
4/mmm
6,024.271282
false
[CIF] data_LaTlSnRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16417883 _cell_length_b 5.16417883 _cell_length_c 5.16417883 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTlSnRh _chemical_formula_sum 'La1 Tl1 Sn1 Rh1' _cell_volume 97.38427182 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.82581294 1.82581294 1.82581294 1 Rh Rh1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 3.65162587 3.65162587 3.65162587 1 Tl Tl3 1 5.47743881 5.47743881 5.47743881 1 [/CIF]
LaRhSnTl
F-43m
216
cubic
-43m
9,632.413856
false
[CIF] data_NaNbSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05973784 _cell_length_b 5.05973784 _cell_length_c 5.05973784 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaNbSb2 _chemical_formula_sum 'Na1 Nb1 Sb2' _cell_volume 91.59442677 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 -0.00000000 0.00000000 1 Nb Nb1 1 5.36666241 5.36666241 5.36666241 1 Sb Sb2 1 3.57777494 3.57777494 3.57777494 1 Sb Sb3 1 1.78888747 1.78888747 1.78888747 1 [/CIF]
NaNbSb2
F-43m
216
cubic
-43m
6,515.948384
false
[CIF] data_BaNa2V2CuO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46887038 _cell_length_b 5.46887038 _cell_length_c 13.98862125 _cell_angle_alpha 92.10618317 _cell_angle_beta 92.10618317 _cell_angle_gamma 62.40618356 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNa2V2CuO8 _chemical_formula_sum 'Ba2 Na4 V4 Cu2 O16' _cell_volume 370.44770208 _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 4.52745981 -2.22901444 3.49392561 1 Ba Ba1 1 4.22693267 2.22901444 10.48177682 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Cu Cu3 1 -0.30052714 0.00000000 6.98785121 1 Na Na4 1 6.14542099 0.37134602 1.20358316 1 Na Na5 1 2.90949864 0.37134602 5.78426805 1 Na Na6 1 5.84489384 -0.37134602 8.19143437 1 Na Na7 1 2.60897150 -0.37134602 12.77211927 1 O O8 1 3.43827203 -1.07011451 1.07964719 1 O O9 1 1.38487765 0.80389942 1.15697601 1 O O10 1 4.15451120 1.66179299 1.47759022 1 O O11 1 2.81856440 0.09977242 3.48635637 1 O O12 1 6.23635523 0.09977242 3.50149485 1 O O13 1 4.90040843 1.66179299 5.51026099 1 O O14 1 7.67004198 0.80389942 5.83087520 1 O O15 1 5.61664760 -1.07011451 5.90820402 1 O O16 1 3.13774488 1.07011451 8.06749840 1 O O17 1 1.08435051 -0.80389942 8.14482722 1 O O18 1 3.85398406 -1.66179299 8.46544144 1 O O19 1 2.51803726 -0.09977242 10.47420758 1 O O20 1 5.93582809 -0.09977242 10.48934606 1 O O21 1 4.59988128 -1.66179299 12.49811220 1 O O22 1 7.36951483 -0.80389942 12.81872642 1 O O23 1 5.31612046 1.07011451 12.89605524 1 V V24 1 2.95377037 0.40143002 1.80851543 1 V V25 1 6.10114926 0.40143002 5.17933578 1 V V26 1 2.65324323 -0.40143002 8.79636664 1 V V27 1 5.80062211 -0.40143002 12.16718700 1 [/CIF]
Ba2Cu2Na4O16V4
C2/c
15
monoclinic
2/m
4,273.909711
false
[CIF] data_SrLaMnNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21167683 _cell_length_b 5.21167683 _cell_length_c 5.21167683 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLaMnNi _chemical_formula_sum 'Sr1 La1 Mn1 Ni1' _cell_volume 100.09616446 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.84260602 1.84260601 1.84260601 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 3.68521203 3.68521203 3.68521203 1 Sr Sr3 1 5.52781805 5.52781805 5.52781805 1 [/CIF]
LaMnNiSr
F-43m
216
cubic
-43m
5,643.011889
false
[CIF] data_CaIn2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24191114 _cell_length_b 5.24191114 _cell_length_c 5.24191114 _cell_angle_alpha 126.83681387 _cell_angle_beta 126.83681387 _cell_angle_gamma 78.51707306 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaIn2Pt _chemical_formula_sum 'Ca1 In2 Pt1' _cell_volume 89.32410109 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.34560745 -0.00000000 2.02940162 1 In In2 1 0.00000000 -0.00000000 4.05880324 1 Pt Pt3 1 -0.00000000 2.34560745 2.02940162 1 [/CIF]
CaIn2Pt
I-4m2
119
tetragonal
-42m
8,640.615776
false
[CIF] data_LiCdW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51157774 _cell_length_b 5.51157774 _cell_length_c 5.51157774 _cell_angle_alpha 146.27983001 _cell_angle_beta 134.70731714 _cell_angle_gamma 57.63952473 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCdW2 _chemical_formula_sum 'Li1 Cd1 W2' _cell_volume 65.52707482 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.82891627 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 -0.00000000 2.12218836 2.44687542 1 W W3 1 1.59855354 0.00000000 2.38204085 1 [/CIF]
CdLiW2
Immm
71
orthorhombic
mmm
12,342.00771
false
[CIF] data_CaHg2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.08090509 _cell_length_b 7.08090509 _cell_length_c 7.08090509 _cell_angle_alpha 143.79876055 _cell_angle_beta 143.79876055 _cell_angle_gamma 52.12832199 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHg2Te _chemical_formula_sum 'Ca1 Hg2 Te1' _cell_volume 123.13862922 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 -0.00000000 2.19994311 3.18039768 1 Hg Hg2 1 2.19994311 -0.00000000 3.18039768 1 Te Te3 1 0.00000000 0.00000000 6.36079535 1 [/CIF]
CaHg2Te
I4/mmm
139
tetragonal
4/mmm
7,671.179406
false
[CIF] data_Ti3Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60764757 _cell_length_b 5.40144174 _cell_length_c 5.30967605 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3Mo _chemical_formula_sum 'Ti6 Mo2' _cell_volume 132.14689846 _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 Mo Mo0 1 2.30382379 0.00000000 2.01649523 1 Mo Mo1 1 0.00000000 2.70072087 3.29318082 1 Ti Ti2 1 0.00000000 0.00000000 3.41866418 1 Ti Ti3 1 2.30382379 1.38386201 4.57007179 1 Ti Ti4 1 0.00000000 1.31685886 0.73960426 1 Ti Ti5 1 2.30382379 2.70072087 1.89101187 1 Ti Ti6 1 2.30382379 4.01757973 4.57007179 1 Ti Ti7 1 0.00000000 4.08458288 0.73960426 1 [/CIF]
Mo2Ti6
Pmmn
59
orthorhombic
mmm
6,020.578674
false
[CIF] data_Ta2ReSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00441455 _cell_length_b 4.65630528 _cell_length_c 5.38139396 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.45241147 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2ReSb _chemical_formula_sum 'Ta2 Re1 Sb1' _cell_volume 73.21735673 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.69519589 2.32815264 2.45028292 1 Sb Sb1 1 0.28671305 0.00000000 3.94196954 1 Ta Ta2 1 1.60231523 2.32815264 5.22669067 1 Ta Ta3 1 1.79702500 0.00000000 1.46542499 1 [/CIF]
ReSbTa2
Pm
6
monoclinic
m
15,192.207585
false
[CIF] data_CoGeRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93510256 _cell_length_b 4.93510256 _cell_length_c 4.93510256 _cell_angle_alpha 145.15742539 _cell_angle_beta 145.15742539 _cell_angle_gamma 50.09998682 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoGeRu _chemical_formula_sum 'Co1 Ge1 Ru1' _cell_volume 39.04247242 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.82465842 1 Ge Ge1 1 -0.00000000 0.00000000 3.03332275 1 Ru Ru2 1 0.00000000 0.00000000 6.02562015 1 [/CIF]
CoGeRu
I4mm
107
tetragonal
4mm
9,894.688782
false
[CIF] data_Hf4MnP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54012134 _cell_length_b 5.54012134 _cell_length_c 5.54012134 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf4MnP _chemical_formula_sum 'Hf4 Mn1 P1' _cell_volume 120.23830161 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 4.88635589 4.88635589 2.94855885 1 Hf Hf1 1 4.88635589 2.94855885 4.88635589 1 Hf Hf2 1 2.94855885 4.88635589 4.88635589 1 Hf Hf3 1 2.94855885 2.94855885 2.94855885 1 Mn Mn4 1 5.87618606 5.87618606 5.87618606 1 P P5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hf4MnP
F-43m
216
cubic
-43m
11,046.549777
false
[CIF] data_ZnBiIrW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66211190 _cell_length_b 4.66211190 _cell_length_c 4.66211190 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnBiIrW _chemical_formula_sum 'Zn1 Bi1 Ir1 W1' _cell_volume 71.65278616 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64830547 1.64830547 1.64830547 1 Ir Ir1 1 4.94491641 4.94491641 4.94491641 1 W W2 1 3.29661094 3.29661094 3.29661094 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiIrWZn
F-43m
216
cubic
-43m
15,073.293869
false
[CIF] data_LiCu2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62824404 _cell_length_b 4.62824404 _cell_length_c 4.63332093 _cell_angle_alpha 100.54950519 _cell_angle_beta 100.54950519 _cell_angle_gamma 34.78766723 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCu2Au _chemical_formula_sum 'Li1 Cu2 Au1' _cell_volume 55.57310050 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 6.34428495 -0.00000000 1.16558168 1 Cu Cu1 1 7.92637604 -0.00000000 4.45273889 1 Cu Cu2 1 1.60938358 0.00000000 3.47290784 1 Li Li3 1 3.98063385 -0.00000000 2.27688689 1 [/CIF]
AuCu2Li
Cm
8
monoclinic
m
9,890.355413
false
[CIF] data_LiLa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.50925852 _cell_length_b 5.06191259 _cell_length_c 6.81162688 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.31986767 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiLa _chemical_formula_sum 'Li2 La2' _cell_volume 117.23931404 _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 La La0 1 1.76063407 3.79643444 4.16484800 1 La La1 1 0.06387065 1.26547815 2.43514181 1 Li Li2 1 1.96629580 3.79643444 0.76063741 1 Li Li3 1 -0.14179108 1.26547815 5.83935240 1 [/CIF]
La2Li2
P2_1/m
11
monoclinic
2/m
4,131.442821
false
[CIF] data_BP2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17190612 _cell_length_b 4.17190612 _cell_length_c 5.07564149 _cell_angle_alpha 110.68266844 _cell_angle_beta 110.68266844 _cell_angle_gamma 47.17078496 _symmetry_Int_Tables_number 1 _chemical_formula_structural BP2Ru _chemical_formula_sum 'B1 P2 Ru1' _cell_volume 59.78301625 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.83617328 0.00000000 1.71999285 1 P P1 1 7.13364117 -0.00000000 0.42067109 1 P P2 1 5.23139562 0.00000000 2.90378662 1 Ru Ru3 1 2.98169993 -0.00000000 1.98091618 1 [/CIF]
BP2Ru
Cm
8
monoclinic
m
4,828.278549
false
[CIF] data_LiSbC3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.84631342 _cell_length_b 3.84631342 _cell_length_c 3.84631342 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiSbC3 _chemical_formula_sum 'Li1 Sb1 C3' _cell_volume 56.90284893 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.92315671 1.92315671 1.92315671 1 C C1 1 0.00000000 1.92315671 0.00000000 1 C C2 1 0.00000000 0.00000000 1.92315671 1 C C3 1 1.92315671 0.00000000 0.00000000 1 Li Li4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
C3LiSb
Pm-3m
221
cubic
m-3m
4,807.241698
false
[CIF] data_ScAg2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17616889 _cell_length_b 5.17616889 _cell_length_c 5.17616889 _cell_angle_alpha 133.41774614 _cell_angle_beta 133.41774614 _cell_angle_gamma 67.99886023 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScAg2Mo _chemical_formula_sum 'Sc1 Ag2 Mo1' _cell_volume 71.90232460 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 2.04667407 -0.00000000 2.14563364 1 Ag Ag1 1 -0.00000000 2.04667407 2.14563364 1 Mo Mo2 1 0.00000000 -0.00000000 4.29126728 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2MoSc
I4/mmm
139
tetragonal
4/mmm
8,236.66134
false
[CIF] data_NaFeCoOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20690225 _cell_length_b 4.20690225 _cell_length_c 4.20690225 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaFeCoOs _chemical_formula_sum 'Na1 Fe1 Co1 Os1' _cell_volume 52.64683478 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.46209367 4.46209367 4.46209367 1 Fe Fe1 1 2.97472911 2.97472911 2.97472911 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 1.48736456 1.48736456 1.48736456 1 [/CIF]
CoFeNaOs
F-43m
216
cubic
-43m
10,345.416504
false
[CIF] data_Ca2TlB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44063307 _cell_length_b 3.44063307 _cell_length_c 8.66620637 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2TlB _chemical_formula_sum 'Ca2 Tl1 B1' _cell_volume 102.59016902 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.33238226 1 Ca Ca1 1 1.72031654 1.72031654 7.93354760 1 Ca Ca2 1 0.00000000 0.00000000 2.54905706 1 Tl Tl3 1 1.72031654 1.72031654 4.85052900 1 [/CIF]
BCa2Tl
P4mm
99
tetragonal
4mm
4,780.581962
false
[CIF] data_HfMnMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44924125 _cell_length_b 4.44924125 _cell_length_c 4.44924125 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMnMo2 _chemical_formula_sum 'Hf1 Mn1 Mo2' _cell_volume 62.27917740 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.14608866 3.14608866 3.14608866 1 Mn Mn1 1 0.00000000 -0.00000000 0.00000000 1 Mo Mo2 1 4.71913299 4.71913299 4.71913299 1 Mo Mo3 1 1.57304433 1.57304433 1.57304433 1 [/CIF]
HfMnMo2
Fm-3m
225
cubic
m-3m
11,340.982254
false
[CIF] data_MgTeIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58020635 _cell_length_b 4.58020635 _cell_length_c 4.58020635 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTeIr3 _chemical_formula_sum 'Mg1 Te1 Ir3' _cell_volume 96.08489803 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 0.00000000 2.29010318 0.00000000 1 Ir Ir2 1 0.00000000 0.00000000 2.29010318 1 Ir Ir3 1 2.29010318 0.00000000 0.00000000 1 Te Te4 1 2.29010318 2.29010318 2.29010318 1 [/CIF]
Ir3MgTe
Pm-3m
221
cubic
m-3m
12,590.903722
false
[CIF] data_ZrInFeNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47340053 _cell_length_b 4.47340053 _cell_length_c 4.47340053 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrInFeNi _chemical_formula_sum 'Zr1 In1 Fe1 Ni1' _cell_volume 63.29921977 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 1.58158592 1.58158593 1.58158593 1 Ni Ni2 1 3.16317185 3.16317185 3.16317185 1 Zr Zr3 1 4.74475778 4.74475778 4.74475778 1 [/CIF]
FeInNiZr
F-43m
216
cubic
-43m
8,409.839492
false
[CIF] data_LaTlFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72221153 _cell_length_b 4.72221153 _cell_length_c 3.63419310 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTlFe2 _chemical_formula_sum 'La1 Tl1 Fe2' _cell_volume 81.03989581 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 2.36110577 0.00000000 1.81709655 1 Fe Fe1 1 0.00000000 2.36110577 1.81709655 1 La La2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 2.36110577 2.36110577 0.00000000 1 [/CIF]
Fe2LaTl
P4/mmm
123
tetragonal
4/mmm
9,322.692416
false
[CIF] data_CaHfSnRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80841624 _cell_length_b 4.80841624 _cell_length_c 4.80841624 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHfSnRu _chemical_formula_sum 'Ca1 Hf1 Sn1 Ru1' _cell_volume 78.61242040 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 5.10009560 5.10009560 5.10009559 1 Ru Ru2 1 3.40006373 3.40006373 3.40006373 1 Sn Sn3 1 1.70003186 1.70003186 1.70003186 1 [/CIF]
CaHfRuSn
F-43m
216
cubic
-43m
9,259.27449
false
[CIF] data_AgCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.00681895 _cell_length_b 6.00681895 _cell_length_c 3.98124855 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 143.65831130 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgCl _chemical_formula_sum 'Ag2 Cl2' _cell_volume 85.12744482 _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 Ag Ag0 1 1.87323534 1.20459468 2.98593641 1 Ag Ag1 1 1.87323534 -1.20459468 0.99531214 1 Cl Cl2 1 1.87323534 4.19666268 2.98593641 1 Cl Cl3 1 1.87323534 -4.19666268 0.99531214 1 [/CIF]
Ag2Cl2
Cmcm
63
orthorhombic
mmm
5,591.391875
false
[CIF] data_HfTe2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41733855 _cell_length_b 3.41733855 _cell_length_c 6.95740570 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTe2W _chemical_formula_sum 'Hf1 Te2 W1' _cell_volume 81.24999449 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.00000000 0.00000000 0.00000000 1 Te Te1 1 1.70866928 1.70866928 1.81046453 1 Te Te2 1 1.70866928 1.70866928 5.14694117 1 W W3 1 0.00000000 0.00000000 3.47870285 1 [/CIF]
HfTe2W
P4/mmm
123
tetragonal
4/mmm
12,620.710885
false
[CIF] data_Al5Tl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51785983 _cell_length_b 5.51785983 _cell_length_c 5.51785983 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al5Tl _chemical_formula_sum 'Al5 Tl1' _cell_volume 118.79468021 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Al Al1 1 2.92205634 2.92205634 2.92205634 1 Al Al2 1 4.88137586 2.92205634 4.88137586 1 Al Al3 1 4.88137586 4.88137586 2.92205634 1 Al Al4 1 2.92205634 4.88137586 4.88137586 1 Tl Tl5 1 5.85257415 5.85257415 5.85257415 1 [/CIF]
Al5Tl
F-43m
216
cubic
-43m
4,742.686691
false
[CIF] data_NbAlRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.98547861 _cell_length_b 6.79721818 _cell_length_c 2.77783784 _cell_angle_alpha 82.20520605 _cell_angle_beta 74.59213194 _cell_angle_gamma 23.20266201 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbAlRe _chemical_formula_sum 'Nb1 Al1 Re1' _cell_volume 48.00724813 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 1.60025726 2.27058578 13.15535283 1 Nb Nb1 1 1.60025726 2.27058578 8.82697769 1 Re Re2 1 1.60025726 2.27058578 4.44231000 1 [/CIF]
AlNbRe
Fmm2
42
orthorhombic
mm2
10,587.621458
false
[CIF] data_MgTl2Cr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29781162 _cell_length_b 3.79762142 _cell_length_c 6.44927880 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTl2Cr _chemical_formula_sum 'Mg1 Tl2 Cr1' _cell_volume 80.76973611 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.22463940 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 1.64890581 1.89881071 1.71383290 1 Tl Tl3 1 1.64890581 1.89881071 4.73544590 1 [/CIF]
CrMgTl2
Pmmm
47
orthorhombic
mmm
9,972.471183
false
[CIF] data_LiGaSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.62312145 _cell_length_b 4.47921154 _cell_length_c 5.25032161 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.24461506 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiGaSi2 _chemical_formula_sum 'Li1 Ga1 Si2' _cell_volume 61.68817491 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 1.90964799 2.23960577 2.69297976 1 Li Li1 1 0.62856261 0.00000000 3.93508071 1 Si Si2 1 1.98046419 2.23960577 0.00437075 1 Si Si3 1 2.00550585 0.00000000 1.24297942 1 [/CIF]
GaLiSi2
Pm
6
monoclinic
m
3,575.688651
false
[CIF] data_YSiB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.01060377 _cell_length_b 3.01060377 _cell_length_c 5.82148393 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YSiB2 _chemical_formula_sum 'Y1 Si1 B2' _cell_volume 52.76438782 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.48357000 1 B B1 1 1.50530188 1.50530188 1.31254763 1 Si Si2 1 0.00000000 0.00000000 2.41194657 1 Y Y3 1 1.50530188 1.50530188 4.52416170 1 [/CIF]
B2SiY
P4mm
99
tetragonal
4mm
4,362.28146
false
[CIF] data_ScTcNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18627477 _cell_length_b 4.18627477 _cell_length_c 4.18627477 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTcNi _chemical_formula_sum 'Sc1 Tc1 Ni1' _cell_volume 51.87620454 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.48007164 1.48007164 1.48007164 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 2.96014328 2.96014328 2.96014328 1 [/CIF]
NiScTc
F-43m
216
cubic
-43m
6,483.730717
false
[CIF] data_InCoAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68339538 _cell_length_b 4.20472323 _cell_length_c 4.40520694 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InCoAg2 _chemical_formula_sum 'In1 Co1 Ag2' _cell_volume 68.22633903 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.84169769 0.00000000 2.20260347 1 Ag Ag1 1 0.00000000 2.10236161 2.20260347 1 Co Co2 1 0.00000000 0.00000000 0.00000000 1 In In3 1 1.84169769 2.10236161 0.00000000 1 [/CIF]
Ag2CoIn
Pmmm
47
orthorhombic
mmm
9,479.614129
false
[CIF] data_AgBrO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57595383 _cell_length_b 4.59454534 _cell_length_c 6.55140842 _cell_angle_alpha 86.75321864 _cell_angle_beta 86.31379703 _cell_angle_gamma 60.14159314 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgBrO2 _chemical_formula_sum 'Ag1 Br1 O2' _cell_volume 119.16041702 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.19414234 1.28608450 0.27229991 1 Br Br1 1 3.47561455 2.61901934 0.23893167 1 O O2 1 3.55165432 0.19518726 3.59061555 1 O O3 1 4.68903926 0.65658414 3.47147723 1 [/CIF]
AgBrO2
P1
1
triclinic
1
3,062.580178
false
[CIF] data_TaBiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04456216 _cell_length_b 5.04456216 _cell_length_c 5.04456216 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaBiPb _chemical_formula_sum 'Ta1 Bi1 Pb1' _cell_volume 90.77273797 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.56704411 3.56704411 3.56704411 1 Pb Pb1 1 1.78352206 1.78352206 1.78352206 1 Ta Ta2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiPbTa
F-43m
216
cubic
-43m
10,923.48715
false
[CIF] data_KMnNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94042558 _cell_length_b 4.94042558 _cell_length_c 2.93544735 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMnNi _chemical_formula_sum 'K1 Mn1 Ni1' _cell_volume 62.04883770 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.87718797 1 Mn Mn1 1 0.00000000 2.85235604 1.28561072 1 Ni Ni2 1 2.47021279 1.42617802 1.70809604 1 [/CIF]
KMnNi
P3m1
156
trigonal
3m
4,087.324077
false
[CIF] data_KTiCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61998881 _cell_length_b 4.61998881 _cell_length_c 6.91752096 _cell_angle_alpha 102.55596952 _cell_angle_beta 102.55596952 _cell_angle_gamma 35.96767587 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTiCo2 _chemical_formula_sum 'K1 Ti1 Co2' _cell_volume 84.42340564 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.53468156 0.00000000 0.51811148 1 Co Co1 1 1.45177991 0.00000000 5.80659393 1 K K2 1 3.66992619 0.00000000 3.51717551 1 Ti Ti3 1 5.94337637 0.00000000 0.25973905 1 [/CIF]
Co2KTi
Cm
8
monoclinic
m
4,028.87115
false
[CIF] data_Ho2NpTa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14180463 _cell_length_b 5.14180463 _cell_length_c 5.14180463 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ho2NpTa _chemical_formula_sum 'Ho2 Np1 Ta1' _cell_volume 96.12397342 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ho Ho0 1 1.81790246 1.81790246 1.81790246 1 Ho Ho1 1 5.45370738 5.45370738 5.45370738 1 Np Np2 1 3.63580492 3.63580492 3.63580492 1 Ta Ta3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ho2NpTa
Fm-3m
225
cubic
m-3m
12,918.372157
false
[CIF] data_LiBe2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47741514 _cell_length_b 4.47741514 _cell_length_c 4.47741514 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiBe2Te _chemical_formula_sum 'Li1 Be2 Te1' _cell_volume 63.46979469 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.74901591 4.74901591 4.74901591 1 Be Be1 1 1.58300530 1.58300531 1.58300530 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 3.16601061 3.16601061 3.16601061 1 [/CIF]
Be2LiTe
Fm-3m
225
cubic
m-3m
3,991.516726
false
[CIF] data_HgGePt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11096052 _cell_length_b 3.11096052 _cell_length_c 7.13055716 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgGePt2 _chemical_formula_sum 'Hg1 Ge1 Pt2' _cell_volume 69.01006953 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 0.00000000 0.00000000 3.56527858 1 Pt Pt2 1 1.55548026 1.55548026 5.63657694 1 Pt Pt3 1 1.55548026 1.55548026 1.49398022 1 [/CIF]
GeHgPt2
P4/mmm
123
tetragonal
4/mmm
15,962.863147
false
[CIF] data_ScBRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22426983 _cell_length_b 5.22426983 _cell_length_c 5.22426983 _cell_angle_alpha 148.12366335 _cell_angle_beta 148.12366335 _cell_angle_gamma 45.70284684 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScBRh _chemical_formula_sum 'Sc1 B1 Rh1' _cell_volume 39.63142911 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.36445668 1 Rh Rh1 1 -0.00000000 0.00000000 3.59579212 1 Sc Sc2 1 0.00000000 0.00000000 6.29672288 1 [/CIF]
BRhSc
I4mm
107
tetragonal
4mm
6,648.302744
false
[CIF] data_Mg2AgB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41859700 _cell_length_b 4.41859700 _cell_length_c 4.41859700 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2AgB _chemical_formula_sum 'Mg2 Ag1 B1' _cell_volume 61.00117232 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.56220995 1.56220995 1.56220995 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Mg Mg2 1 4.68662985 4.68662985 4.68662985 1 Mg Mg3 1 3.12441990 3.12441990 3.12441990 1 [/CIF]
AgBMg2
F-43m
216
cubic
-43m
4,553.85104
false
[CIF] data_BaZn2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21731829 _cell_length_b 5.21731829 _cell_length_c 5.21731829 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaZn2As _chemical_formula_sum 'Ba1 Zn2 As1' _cell_volume 100.42156798 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 0.00000000 1 Ba Ba1 1 3.68920114 3.68920114 3.68920114 1 Zn Zn2 1 1.84460057 1.84460057 1.84460057 1 Zn Zn3 1 5.53380171 5.53380171 5.53380171 1 [/CIF]
AsBaZn2
Fm-3m
225
cubic
m-3m
5,671.880971
false
[CIF] data_Ag2BiOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36119782 _cell_length_b 3.58109525 _cell_length_c 6.36617812 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.50375561 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag2BiOs _chemical_formula_sum 'Ag2 Bi1 Os1' _cell_volume 76.55506650 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00134609 1.79054763 0.01855388 1 Ag Ag1 1 1.64190161 0.00000000 1.37346019 1 Bi Bi2 1 3.18119030 1.79054763 3.36373515 1 Os Os3 1 1.48079908 0.00000000 4.78440185 1 [/CIF]
Ag2BiOs
Pm
6
monoclinic
m
13,338.67544
false
[CIF] data_ZrTaTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45056151 _cell_length_b 5.45056151 _cell_length_c 5.45056151 _cell_angle_alpha 145.52114459 _cell_angle_beta 131.15569160 _cell_angle_gamma 61.15494862 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTaTc2 _chemical_formula_sum 'Zr1 Ta1 Tc2' _cell_volume 68.33055400 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ta Ta0 1 -0.00000000 2.25357023 2.43103656 1 Tc Tc1 1 0.00000000 0.00000000 0.00948125 1 Tc Tc2 1 1.61535756 -0.00000000 2.29228768 1 Zr Zr3 1 0.00000000 0.00000000 4.65243014 1 [/CIF]
TaTc2Zr
Imm2
44
orthorhombic
mm2
11,421.396252
false
[CIF] data_Sn2PdBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.47855828 _cell_length_b 3.47855828 _cell_length_c 7.78271143 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn2PdBr _chemical_formula_sum 'Sn2 Pd1 Br1' _cell_volume 94.17367006 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 0.00000000 0.00000000 3.89135571 1 Sn Sn2 1 1.73927914 1.73927914 5.53687595 1 Sn Sn3 1 1.73927914 1.73927914 2.24583548 1 [/CIF]
BrPdSn2
P4/mmm
123
tetragonal
4/mmm
7,471.764303
false
[CIF] data_Nb2BAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34087870 _cell_length_b 4.34087870 _cell_length_c 3.06656746 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2BAs _chemical_formula_sum 'Nb2 B1 As1' _cell_volume 57.78402948 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.17043935 2.17043935 0.00000000 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 0.00000000 2.17043935 1.53328373 1 Nb Nb3 1 2.17043935 0.00000000 1.53328373 1 [/CIF]
AsBNb2
P4/mmm
123
tetragonal
4/mmm
7,803.396244
false
[CIF] data_KCdAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.63613230 _cell_length_b 3.63613230 _cell_length_c 8.08676496 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCdAs2 _chemical_formula_sum 'K1 Cd1 As2' _cell_volume 106.91882411 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.81806615 1.81806615 0.65501640 1 As As1 1 0.00000000 0.00000000 1.55668576 1 Cd Cd2 1 1.81806615 1.81806615 3.66497283 1 K K3 1 0.00000000 0.00000000 6.25347238 1 [/CIF]
As2CdK
P4mm
99
tetragonal
4mm
4,680.257225
false
[CIF] data_KTePd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99458474 _cell_length_b 4.99458474 _cell_length_c 4.99458474 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTePd2 _chemical_formula_sum 'K1 Te1 Pd2' _cell_volume 88.10147113 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 0.00000000 1 Pd Pd1 1 3.53170474 3.53170474 3.53170474 1 Pd Pd2 1 1.76585237 1.76585237 1.76585237 1 Te Te3 1 5.29755711 5.29755711 5.29755711 1 [/CIF]
KPd2Te
F-43m
216
cubic
-43m
7,153.548815
false
[CIF] data_SrInAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51788481 _cell_length_b 5.51788481 _cell_length_c 5.51788481 _cell_angle_alpha 128.68497177 _cell_angle_beta 128.68497177 _cell_angle_gamma 75.51799828 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrInAg2 _chemical_formula_sum 'Sr1 In1 Ag2' _cell_volume 99.60666690 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 2.38919336 -0.00000000 2.18120168 1 Ag Ag1 1 0.00000000 -0.00000000 4.36240335 1 In In2 1 -0.00000000 2.38919336 2.18120168 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2InSr
I-4m2
119
tetragonal
-42m
6,971.369984
false
[CIF] data_RhBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.26111549 _cell_length_b 7.26111549 _cell_length_c 6.81636406 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 151.18454888 _symmetry_Int_Tables_number 1 _chemical_formula_structural RhBr2 _chemical_formula_sum 'Rh2 Br4' _cell_volume 173.21977506 _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 Br Br0 1 1.80671428 -3.12161261 5.11227305 1 Br Br1 1 1.80671428 0.20327399 5.11227305 1 Br Br2 1 1.80671428 3.12161261 1.70409101 1 Br Br3 1 1.80671428 -0.20327399 1.70409101 1 Rh Rh4 1 1.80671428 5.57633754 5.11227305 1 Rh Rh5 1 1.80671428 -5.57633754 1.70409101 1 [/CIF]
Br4Rh2
Cmcm
63
orthorhombic
mmm
5,036.907939
false
[CIF] data_ScCr2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68745704 _cell_length_b 4.68745704 _cell_length_c 4.68745704 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCr2Ag _chemical_formula_sum 'Sc1 Cr2 Ag1' _cell_volume 72.82775187 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 4.97179899 4.97179899 4.97179899 1 Cr Cr1 1 1.65726633 1.65726633 1.65726633 1 Cr Cr2 1 3.31453266 3.31453266 3.31453266 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgCr2Sc
F-43m
216
cubic
-43m
5,855.645795
false
[CIF] data_ScCrB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45096206 _cell_length_b 5.45096206 _cell_length_c 5.45096206 _cell_angle_alpha 148.55677240 _cell_angle_beta 147.10779930 _cell_angle_gamma 46.14376269 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCrB2 _chemical_formula_sum 'Sc1 Cr1 B2' _cell_volume 45.72407933 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 1.47701222 -0.00000000 4.39457936 1 B B1 1 -0.00000000 -0.00000000 3.50577330 1 Cr Cr2 1 0.00000000 1.54323949 4.88095796 1 Sc Sc3 1 0.00000000 -0.00000000 7.27853360 1 [/CIF]
B2CrSc
Imm2
44
orthorhombic
mm2
4,306.200502
false
[CIF] data_MnNbIrPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43182071 _cell_length_b 4.43182071 _cell_length_c 4.43182071 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnNbIrPt _chemical_formula_sum 'Mn1 Nb1 Ir1 Pt1' _cell_volume 61.55049519 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 4.70065572 4.70065572 4.70065572 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 1.56688524 1.56688524 1.56688524 1 Pt Pt3 1 3.13377048 3.13377048 3.13377048 1 [/CIF]
IrMnNbPt
F-43m
216
cubic
-43m
14,437.412434
false
[CIF] data_AlP3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76497407 _cell_length_b 15.01713103 _cell_length_c 5.63456866 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlP3 _chemical_formula_sum 'Al6 P18' _cell_volume 403.18854713 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 2.38586812 1 Al Al1 1 0.00000000 4.82988642 4.25746481 1 Al Al2 1 0.00000000 10.18724461 4.25746481 1 Al Al3 1 2.38248704 7.50856551 3.24870054 1 Al Al4 1 2.38248704 12.33845193 1.37710385 1 Al Al5 1 2.38248704 2.67867910 1.37710385 1 P P6 1 1.07184489 5.12402727 1.01472930 1 P P7 1 1.07184489 9.89310376 1.01472930 1 P P8 1 1.10851752 0.00000000 4.80690709 1 P P9 1 1.27396952 7.50856551 0.82766157 1 P P10 1 1.31064214 12.63259278 4.61983936 1 P P11 1 1.31064214 2.38453825 4.61983936 1 P P12 1 0.00000000 7.50856551 4.33670730 1 P P13 1 0.00000000 12.59080221 2.55317097 1 P P14 1 0.00000000 2.42632882 2.55317097 1 P P15 1 3.69312918 5.12402727 1.01472930 1 P P16 1 3.69312918 9.89310376 1.01472930 1 P P17 1 3.65645655 0.00000000 4.80690709 1 P P18 1 3.49100455 7.50856551 0.82766157 1 P P19 1 3.45433193 12.63259278 4.61983936 1 P P20 1 3.45433193 2.38453825 4.61983936 1 P P21 1 2.38248704 0.00000000 1.29786136 1 P P22 1 2.38248704 5.08223669 3.08139769 1 P P23 1 2.38248704 9.93489434 3.08139769 1 [/CIF]
Al6P18
Pmmn
59
orthorhombic
mmm
2,962.931252
false
[CIF] data_AlGa2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57675069 _cell_length_b 4.57675069 _cell_length_c 3.06633806 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.00759608 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlGa2Os _chemical_formula_sum 'Al1 Ga2 Os1' _cell_volume 59.96035226 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.29602505 1.88599596 1.53316903 1 Ga Ga2 1 1.29602505 -1.88599597 1.53316903 1 Os Os3 1 2.59205010 0.00000000 0.00000000 1 [/CIF]
AlGa2Os
Cmmm
65
orthorhombic
mmm
9,877.256452
false