Datasets:
n0w0f
/
nomad-structure-csv

Dataset card Data Studio Files
xet
Community
1
cif
stringlengths
674
4.09k
formula
stringlengths
1
20
spacegroup
stringlengths
2
10
spacegroup_number
int64
1
230
crystal_system
stringclasses
7 values
pointgroup
stringlengths
1
5
density
float64
91.6
41.4k
is_longer_than_allowed
bool
2 classes
[CIF] data_InBi2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26824395 _cell_length_b 6.37627921 _cell_length_c 6.49794316 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.30931276 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InBi2Te _chemical_formula_sum 'In1 Bi2 Te1' _cell_volume 131.21108565 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.22647697 0.00000000 0.55437602 1 Bi Bi1 1 0.52276357 3.18813960 1.06706977 1 In In2 1 -0.43185352 0.00000000 3.74078589 1 Te Te3 1 0.54184349 3.18813960 4.08229062 1 [/CIF]
Bi2InTe
Pm
6
monoclinic
m
8,357.409671
false
[CIF] data_Ni2AuSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36960523 _cell_length_b 4.36960523 _cell_length_c 4.36960523 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2AuSe _chemical_formula_sum 'Ni2 Au1 Se1' _cell_volume 58.99451163 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 1.54488875 1.54488875 1.54488875 1 Ni Ni1 1 4.63466624 4.63466624 4.63466624 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Se Se3 1 3.08977749 3.08977749 3.08977749 1 [/CIF]
AuNi2Se
F-43m
216
cubic
-43m
11,070.728388
false
[CIF] data_BaTaAl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53728395 _cell_length_b 3.53728395 _cell_length_c 7.61116316 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTaAl2 _chemical_formula_sum 'Ba1 Ta1 Al2' _cell_volume 95.23374852 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.76864197 1.76864197 5.09492921 1 Al Al1 1 1.76864197 1.76864197 2.51623395 1 Ba Ba2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 0.00000000 0.00000000 3.80558158 1 [/CIF]
Al2BaTa
P4/mmm
123
tetragonal
4/mmm
6,490.510765
false
[CIF] data_KV2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.24959242 _cell_length_b 10.24959242 _cell_length_c 10.24959242 _cell_angle_alpha 16.67679468 _cell_angle_beta 16.67679468 _cell_angle_gamma 16.67679468 _symmetry_Int_Tables_number 1 _chemical_formula_structural KV2Re _chemical_formula_sum 'K1 V2 Re1' _cell_volume 77.33678112 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 -0.00000000 -0.00000000 15.15730091 1 V V2 1 -0.00000000 -0.00000000 6.93404349 1 V V3 1 -0.00000000 0.00000000 23.38055832 1 [/CIF]
KReV2
R-3m
166
trigonal
-3m
7,025.233606
false
[CIF] data_ZnRu2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95871425 _cell_length_b 2.95871425 _cell_length_c 8.36388225 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnRu2Pb _chemical_formula_sum 'Zn1 Ru2 Pb1' _cell_volume 73.21734169 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 1.47935713 1.47935713 6.56592383 1 Ru Ru1 1 0.00000000 0.00000000 0.40677925 1 Ru Ru2 1 1.47935713 1.47935713 1.96898217 1 Zn Zn3 1 0.00000000 0.00000000 3.60413804 1 [/CIF]
PbRu2Zn
P4mm
99
tetragonal
4mm
10,766.453514
false
[CIF] data_HfGaP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45535998 _cell_length_b 3.47771108 _cell_length_c 5.79075474 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.91734172 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfGaP2 _chemical_formula_sum 'Hf1 Ga1 P2' _cell_volume 68.54620853 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 -0.49866290 0.00000000 2.85211245 1 P P2 1 1.16825793 1.73885554 4.06613682 1 P P3 1 1.28977625 1.73885554 1.63808808 1 [/CIF]
GaHfP2
P2/m
10
monoclinic
2/m
7,513.671114
false
[CIF] data_Ba2ScOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56076301 _cell_length_b 3.56076301 _cell_length_c 10.44526401 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2ScOs _chemical_formula_sum 'Ba2 Sc1 Os1' _cell_volume 132.43584911 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 1.78038150 1.78038150 9.95190202 1 Ba Ba1 1 0.00000000 0.00000000 3.54518987 1 Os Os2 1 1.78038150 1.78038150 5.73007400 1 Sc Sc3 1 0.00000000 0.00000000 6.88599423 1 [/CIF]
Ba2OsSc
P4mm
99
tetragonal
4mm
6,392.939802
false
[CIF] data_TiCo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58416998 _cell_length_b 3.58416998 _cell_length_c 3.58416998 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCo3 _chemical_formula_sum 'Ti1 Co3' _cell_volume 46.04323122 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.79208499 1.79208499 1 Co Co1 1 1.79208499 0.00000000 1.79208499 1 Co Co2 1 1.79208499 1.79208499 0.00000000 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co3Ti
Pm-3m
221
cubic
m-3m
8,102.551264
false
[CIF] data_Cr2CoSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67502704 _cell_length_b 4.67502704 _cell_length_c 4.67502704 _cell_angle_alpha 134.08881190 _cell_angle_beta 134.08881190 _cell_angle_gamma 66.94932507 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2CoSe _chemical_formula_sum 'Cr2 Co1 Se1' _cell_volume 51.85783883 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.89957946 1 Cr Cr1 1 -0.00000000 1.82334279 1.94978973 1 Cr Cr2 1 0.00000000 0.00000000 0.00000000 1 Se Se3 1 1.82334279 0.00000000 1.94978973 1 [/CIF]
CoCr2Se
I-4m2
119
tetragonal
-42m
7,745.408545
false
[CIF] data_ZrTc2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79171506 _cell_length_b 4.79171506 _cell_length_c 4.79171506 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTc2Pb _chemical_formula_sum 'Zr1 Tc2 Pb1' _cell_volume 77.79612322 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 1.69412711 1.69412711 1.69412710 1 Tc Tc1 1 5.08238132 5.08238132 5.08238132 1 Tc Tc2 1 3.38825421 3.38825421 3.38825421 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PbTc2Zr
F-43m
216
cubic
-43m
10,592.043592
false
[CIF] data_Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76448975 _cell_length_b 2.76448975 _cell_length_c 8.82813800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc _chemical_formula_sum Tc4 _cell_volume 58.42916963 _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 Tc Tc0 1 0.00000000 0.00000000 0.00000000 1 Tc Tc1 1 1.38224488 0.79803945 6.62110350 1 Tc Tc2 1 0.00000000 0.00000000 4.41406900 1 Tc Tc3 1 -0.00000000 1.59607890 2.20703450 1 [/CIF]
Tc4
P6_3/mmc
194
hexagonal
6/mmm
11,243.536051
false
[CIF] data_InPbW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.78156974 _cell_length_b 8.63199678 _cell_length_c 2.98171114 _cell_angle_alpha 82.98584002 _cell_angle_beta 77.31990843 _cell_angle_gamma 19.69425155 _symmetry_Int_Tables_number 1 _chemical_formula_structural InPbW _chemical_formula_sum 'In1 Pb1 W1' _cell_volume 71.81223194 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 1.77285117 2.39741529 16.47338996 1 Pb Pb1 1 1.77285117 2.39741529 11.66475358 1 W W2 1 1.77285117 2.39741529 5.65377653 1 [/CIF]
InPbW
Fmm2
42
orthorhombic
mm2
11,697.129423
false
[CIF] data_CaAl2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48703485 _cell_length_b 5.48703485 _cell_length_c 3.33602231 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 110.57454772 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaAl2In _chemical_formula_sum 'Ca1 Al2 In1' _cell_volume 94.03300660 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.56232924 -2.25521955 1.66801115 1 Al Al1 1 1.56232924 2.25521954 1.66801115 1 Ca Ca2 1 -0.00000000 -0.00000000 0.00000000 1 In In3 1 3.12465849 0.00000000 0.00000000 1 [/CIF]
Al2CaIn
Cmmm
65
orthorhombic
mmm
3,688.265107
false
[CIF] data_MgCoBiPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64452126 _cell_length_b 4.64452126 _cell_length_c 4.64452126 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCoBiPt _chemical_formula_sum 'Mg1 Co1 Bi1 Pt1' _cell_volume 70.84478202 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64208624 1.64208624 1.64208624 1 Co Co1 1 3.28417248 3.28417248 3.28417248 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 4.92625872 4.92625872 4.92625872 1 [/CIF]
BiCoMgPt
F-43m
216
cubic
-43m
11,421.942071
false
[CIF] data_NbCrFeMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31217306 _cell_length_b 4.31217306 _cell_length_c 4.31217306 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCrFeMo _chemical_formula_sum 'Nb1 Cr1 Fe1 Mo1' _cell_volume 56.69875820 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 4.57375022 4.57375022 4.57375022 1 Mo Mo2 1 1.52458341 1.52458341 1.52458340 1 Nb Nb3 1 3.04916681 3.04916681 3.04916681 1 [/CIF]
CrFeMoNb
F-43m
216
cubic
-43m
8,689.685233
false
[CIF] data_ZrGa2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91117967 _cell_length_b 4.91117967 _cell_length_c 4.91117967 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrGa2Cl _chemical_formula_sum 'Zr1 Ga2 Cl1' _cell_volume 83.76111900 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 0.00000000 1 Ga Ga1 1 1.73636422 1.73636422 1.73636422 1 Ga Ga2 1 5.20909267 5.20909267 5.20909267 1 Zr Zr3 1 3.47272845 3.47272845 3.47272845 1 [/CIF]
ClGa2Zr
Fm-3m
225
cubic
m-3m
5,275.808673
false
[CIF] data_Ag2GeAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.92060046 _cell_length_b 2.92060046 _cell_length_c 8.53375994 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag2GeAu _chemical_formula_sum 'Ag2 Ge1 Au1' _cell_volume 72.79217903 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.46030023 1.46030023 2.15027044 1 Ag Ag1 1 1.46030023 1.46030023 6.38348950 1 Au Au2 1 0.00000000 0.00000000 4.26687997 1 Ge Ge3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2AuGe
P4/mmm
123
tetragonal
4/mmm
11,071.75277
false
[CIF] data_NbIr2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79541081 _cell_length_b 2.79541081 _cell_length_c 8.12338197 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbIr2W _chemical_formula_sum 'Nb1 Ir2 W1' _cell_volume 63.47871938 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 0.00000000 0.00000000 8.11290459 1 Ir Ir1 1 1.39770541 1.39770541 1.98629760 1 Nb Nb2 1 0.00000000 0.00000000 3.97537948 1 W W3 1 1.39770541 1.39770541 6.23387333 1 [/CIF]
Ir2NbW
P4mm
99
tetragonal
4mm
17,296.08458
false
[CIF] data_Sr3As5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.04049532 _cell_length_b 9.04049532 _cell_length_c 6.35066924 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr3As5 _chemical_formula_sum 'Sr6 As10' _cell_volume 449.50505163 _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 As As0 1 4.52024766 2.60976620 3.17533462 1 As As1 1 -0.00000000 5.21953240 0.00000000 1 As As2 1 -0.00000000 5.21953240 3.17533462 1 As As3 1 4.52024766 2.60976620 0.00000000 1 As As4 1 -3.79626902 6.57533082 4.76300193 1 As As5 1 -0.72397864 1.25396779 1.58766731 1 As As6 1 0.72397864 1.25396779 4.76300193 1 As As7 1 7.59253803 0.00000000 4.76300193 1 As As8 1 1.44795728 0.00000000 1.58766731 1 As As9 1 3.79626902 6.57533082 1.58766731 1 Sr Sr10 1 -1.76340787 3.05431203 4.76300193 1 Sr Sr11 1 -2.75683979 4.77498658 1.58766731 1 Sr Sr12 1 2.75683979 4.77498658 4.76300193 1 Sr Sr13 1 3.52681574 0.00000000 4.76300193 1 Sr Sr14 1 5.51367957 0.00000000 1.58766731 1 Sr Sr15 1 1.76340787 3.05431203 1.58766731 1 [/CIF]
As10Sr6
P6_3/mcm
193
hexagonal
6/mmm
4,709.80477
false
[CIF] data_Fe2TcCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79236053 _cell_length_b 2.79236053 _cell_length_c 8.22633416 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 116.40604646 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2TcCl _chemical_formula_sum 'Fe2 Tc1 Cl1' _cell_volume 57.45063734 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 1.89096317 1 Fe Fe1 1 1.47132534 0.00000000 8.19412066 1 Fe Fe2 1 0.00000000 0.00000000 6.24206076 1 Tc Tc3 1 1.47132534 0.00000000 4.23869082 1 [/CIF]
ClFe2Tc
Cmm2
35
orthorhombic
mm2
7,111.745454
false
[CIF] data_MgZnHgMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62875974 _cell_length_b 4.62875974 _cell_length_c 4.62875974 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgZnHgMo _chemical_formula_sum 'Mg1 Zn1 Hg1 Mo1' _cell_volume 70.12597599 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63651370 1.63651370 1.63651370 1 Mg Mg1 1 0.00000000 -0.00000000 0.00000000 1 Mo Mo2 1 4.90954110 4.90954110 4.90954110 1 Zn Zn3 1 3.27302740 3.27302740 3.27302740 1 [/CIF]
HgMgMoZn
F-43m
216
cubic
-43m
9,145.802213
false
[CIF] data_K2MgPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.78739854 _cell_length_b 3.78739854 _cell_length_c 10.89695711 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2MgPb _chemical_formula_sum 'K2 Mg1 Pb1' _cell_volume 156.31017754 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.89369927 1.89369927 8.03028153 1 K K1 1 1.89369927 1.89369927 2.86667558 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 0.00000000 0.00000000 5.44847855 1 [/CIF]
K2MgPb
P4/mmm
123
tetragonal
4/mmm
3,290.071151
false
[CIF] data_KMnBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40302972 _cell_length_b 4.40302972 _cell_length_c 6.64379333 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMnBr2 _chemical_formula_sum 'K1 Mn1 Br2' _cell_volume 128.80103330 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 5.75629190 1 Br Br1 1 2.20151486 2.20151486 2.93051592 1 K K2 1 0.00000000 0.00000000 2.37033870 1 Mn Mn3 1 2.20151486 2.20151486 5.55233681 1 [/CIF]
Br2KMn
P4mm
99
tetragonal
4mm
3,272.838287
false
[CIF] data_LiTlCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60049465 _cell_length_b 5.60049465 _cell_length_c 5.60049465 _cell_angle_alpha 140.05812154 _cell_angle_beta 109.11601985 _cell_angle_gamma 84.59597830 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTlCl2 _chemical_formula_sum 'Li1 Tl1 Cl2' _cell_volume 102.93216565 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.91281244 -0.00000000 1.60605496 1 Cl Cl1 1 -0.00000000 3.24760585 2.53637731 1 Li Li2 1 -0.00000000 0.00000000 -0.00000000 1 Tl Tl3 1 -0.00000000 0.00000000 4.14243227 1 [/CIF]
Cl2LiTl
Immm
71
orthorhombic
mmm
4,553.041666
false
[CIF] data_HfFeAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12627516 _cell_length_b 4.12627516 _cell_length_c 4.12627516 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfFeAs _chemical_formula_sum 'Hf1 Fe1 As1' _cell_volume 49.67748033 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.45885857 1.45885858 1.45885858 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Hf Hf2 1 4.37657573 4.37657573 4.37657573 1 [/CIF]
AsFeHf
F-43m
216
cubic
-43m
10,337.333185
false
[CIF] data_HfBe2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51585703 _cell_length_b 4.51585703 _cell_length_c 4.51585703 _cell_angle_alpha 131.21624635 _cell_angle_beta 126.78073217 _cell_angle_gamma 75.06891364 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBe2Mo _chemical_formula_sum 'Hf1 Be2 Mo1' _cell_volume 54.03323370 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.86493747 0.00000000 1.75410529 1 Be Be1 1 -0.00000000 2.02269494 1.82691107 1 Hf Hf2 1 -0.00000000 -0.00000000 3.58101636 1 Mo Mo3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be2HfMo
Immm
71
orthorhombic
mmm
8,988.396729
false
[CIF] data_MgRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02629020 _cell_length_b 5.02629020 _cell_length_c 5.02629020 _cell_angle_alpha 135.09368103 _cell_angle_beta 135.09368103 _cell_angle_gamma 65.38467513 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgRh _chemical_formula_sum 'Mg2 Rh2' _cell_volume 62.35376235 _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 Mg Mg0 1 0.00000000 0.00000000 0.00000000 1 Mg Mg1 1 0.00000000 1.91968103 2.11502025 1 Rh Rh2 1 1.91968103 0.00000000 2.11502025 1 Rh Rh3 1 0.00000000 0.00000000 4.23004050 1 [/CIF]
Mg2Rh2
I4_1/amd
141
tetragonal
4/mmm
6,775.469418
false
[CIF] data_LaScPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31181816 _cell_length_b 5.31181816 _cell_length_c 5.31181816 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaScPb _chemical_formula_sum 'La1 Sc1 Pb1' _cell_volume 105.97772681 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.87801132 1.87801132 1.87801132 1 Pb Pb1 1 3.75602264 3.75602264 3.75602264 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaPbSc
F-43m
216
cubic
-43m
6,127.445094
false
[CIF] data_AlIn2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11366330 _cell_length_b 4.11366330 _cell_length_c 4.33317975 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlIn2Re _chemical_formula_sum 'Al1 In2 Re1' _cell_volume 73.32704593 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 In In1 1 0.00000000 2.05683165 2.16658988 1 In In2 1 2.05683165 0.00000000 2.16658988 1 Re Re3 1 2.05683165 2.05683165 0.00000000 1 [/CIF]
AlIn2Re
P4/mmm
123
tetragonal
4/mmm
10,028.052224
false
[CIF] data_BaZnNiF7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58678848 _cell_length_b 9.96757753 _cell_length_c 9.45211703 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.78561912 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaZnNiF7 _chemical_formula_sum 'Ba4 Zn4 Ni4 F28' _cell_volume 525.73569103 _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 Ba Ba0 1 1.22168906 6.83802881 4.72208911 1 Ba Ba1 1 3.67605321 1.85424004 9.43933303 1 Ba Ba2 1 3.90573528 3.12954872 4.71885899 1 Ba Ba3 1 1.45137113 8.11333749 0.00161506 1 Zn Zn4 1 3.52759047 5.99129615 7.64296504 1 Zn Zn5 1 1.37015180 1.00750739 6.51845711 1 Zn Zn6 1 3.75727254 8.96007014 2.92249099 1 Zn Zn7 1 1.59983387 3.97628138 1.79798306 1 Ni Ni8 1 0.71436500 3.85588650 7.67459439 1 Ni Ni9 1 4.41305935 6.11169103 1.76635371 1 Ni Ni10 1 0.94404706 1.12790227 2.95412034 1 Ni Ni11 1 4.18337728 8.83967526 6.48682776 1 F F12 1 0.52975727 5.55665156 1.15781786 1 F F13 1 1.87221121 9.44382300 3.50351573 1 F F14 1 2.29580262 2.93534084 7.07835065 1 F F15 1 2.83162173 7.03223669 2.36259745 1 F F16 1 4.76285735 5.44224221 3.40540615 1 F F17 1 1.21091725 1.88062183 4.60849638 1 F F18 1 -0.23763322 2.19092557 7.08032220 1 F F19 1 0.59424906 0.45845345 1.31506790 1 F F20 1 1.64252914 5.50754330 8.22398978 1 F F21 1 2.60193966 7.91912961 7.08307150 1 F F22 1 0.30007520 9.39471473 5.87829191 1 F F23 1 4.59766707 4.41092597 8.28313024 1 F F24 1 5.13537549 7.17471434 7.08109995 1 F F25 1 1.73319860 0.42377076 8.31640760 1 F F26 1 0.36456699 4.52533532 6.03554194 1 F F27 1 4.53317528 9.50912408 8.12588020 1 F F28 1 5.36505756 7.77665196 2.36062590 1 F F29 1 4.82734914 0.57286280 3.56265619 1 F F30 1 3.16454367 5.40755953 5.84501455 1 F F31 1 3.25521313 0.52375453 5.93743237 1 F F32 1 3.39422574 9.54380677 1.12454050 1 F F33 1 -0.00795115 2.79286319 2.35984815 1 F F34 1 1.96288067 4.56001800 3.59593355 1 F F35 1 4.14618916 6.86441059 0.11197767 1 F F36 1 3.91650709 8.08695570 4.83245172 1 F F37 1 0.98123519 3.10316694 9.32897043 1 F F38 1 3.48489520 4.46003423 1.21695832 1 F F39 1 2.52548468 2.04844792 2.35787660 1 [/CIF]
Ba4F28Ni4Zn4
P2_1/c
14
monoclinic
2/m
4,982.722097
false
[CIF] data_CuB2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79325192 _cell_length_b 3.79325192 _cell_length_c 3.79325192 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuB2Rh _chemical_formula_sum 'Cu1 B2 Rh1' _cell_volume 38.59402401 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.34111708 1.34111708 1.34111708 1 B B1 1 4.02335124 4.02335124 4.02335124 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Rh Rh3 1 2.68223416 2.68223416 2.68223416 1 [/CIF]
B2CuRh
Fm-3m
225
cubic
m-3m
8,092.351776
false
[CIF] data_LiO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00406370 _cell_length_b 4.00406370 _cell_length_c 4.00406370 _cell_angle_alpha 133.79915386 _cell_angle_beta 102.06332319 _cell_angle_gamma 95.67438444 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiO3 _chemical_formula_sum 'Li1 O3' _cell_volume 42.52875429 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 -0.00000000 0.00000000 2.75678641 1 O O1 1 1.57097000 1.39077727 2.01517858 1 O O2 1 1.57097000 -1.39077727 2.01517858 1 O O3 1 0.00000000 0.00000000 0.09440228 1 [/CIF]
LiO3
Imm2
44
orthorhombic
mm2
2,145.106044
false
[CIF] data_GaMo2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75076910 _cell_length_b 2.75076910 _cell_length_c 8.25605779 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaMo2Pt _chemical_formula_sum 'Ga1 Mo2 Pt1' _cell_volume 62.47136546 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.14535162 1 Mo Mo1 1 1.37538455 1.37538455 8.18167880 1 Mo Mo2 1 0.00000000 0.00000000 2.15289289 1 Pt Pt3 1 1.37538455 1.37538455 4.16022116 1 [/CIF]
GaMo2Pt
P4mm
99
tetragonal
4mm
12,140.170472
false
[CIF] data_Cr3O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12774306 _cell_length_b 5.12774306 _cell_length_c 5.12774306 _cell_angle_alpha 135.96675555 _cell_angle_beta 135.96675555 _cell_angle_gamma 64.03173584 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr3O _chemical_formula_sum 'Cr3 O1' _cell_volume 64.26260543 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.34782003 1 Cr Cr1 1 0.00000000 1.92226558 2.17391001 1 Cr Cr2 1 1.92226558 0.00000000 2.17391002 1 O O3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr3O
I4/mmm
139
tetragonal
4/mmm
4,444.14435
false
[CIF] data_Li4Cu2Si3O10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38706505 _cell_length_b 5.38706505 _cell_length_c 16.24746996 _cell_angle_alpha 97.12888658 _cell_angle_beta 97.12888658 _cell_angle_gamma 61.42741470 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4Cu2Si3O10 _chemical_formula_sum 'Li8 Cu4 Si6 O20' _cell_volume 409.74818929 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 5.73200156 -0.42052398 8.89277596 1 Li Li1 1 4.63035402 0.55958705 11.80717353 1 Li Li2 1 6.90466006 0.42052398 0.85412296 1 Li Li3 1 5.80301252 -0.55958705 3.76852053 1 Li Li4 1 1.11451448 0.55958705 12.30878547 1 Li Li5 1 0.01286694 -0.42052398 15.22318304 1 Li Li6 1 2.28717298 -0.55958705 4.27013247 1 Li Li7 1 1.18552544 0.42052398 7.18453004 1 Cu Cu8 1 4.10155649 2.14382263 9.35766734 1 Cu Cu9 1 5.27421499 -2.14382263 1.31901434 1 Cu Cu10 1 1.64331201 2.14382263 14.75829166 1 Cu Cu11 1 2.81597051 -2.14382263 6.71963866 1 Si Si12 1 3.10118594 -0.50951092 14.51960798 1 Si Si13 1 2.87243425 -2.15179354 12.05797950 1 Si Si14 1 2.64368256 -0.50951092 9.59635102 1 Si Si15 1 4.27384444 0.50951092 6.48095498 1 Si Si16 1 4.04509275 2.15179354 4.01932650 1 Si Si17 1 3.81634106 0.50951092 1.55769802 1 O O18 1 6.33528674 -0.26156251 12.78189236 1 O O19 1 7.50794524 0.26156251 4.74323936 1 O O20 1 4.25468997 0.48843217 15.02023921 1 O O21 1 4.11686932 0.17722825 9.86246259 1 O O22 1 3.67573812 -1.09920143 13.05020652 1 O O23 1 2.75541665 -1.89303749 8.69414084 1 O O24 1 2.98945185 -1.89303749 15.42181816 1 O O25 1 5.42734847 -0.48843217 6.98158621 1 O O26 1 5.28952782 -0.17722825 1.82380959 1 O O27 1 2.06913038 -1.09920143 11.06575248 1 O O28 1 4.84839662 1.09920143 5.01155352 1 O O29 1 1.62799918 0.17722825 14.25349641 1 O O30 1 1.49017853 0.48843217 9.09571979 1 O O31 1 3.92807515 1.89303749 0.65548784 1 O O32 1 4.16211035 1.89303749 7.38316516 1 O O33 1 3.24178888 1.09920143 3.02709948 1 O O34 1 2.80065768 -0.17722825 6.21484341 1 O O35 1 2.66283703 -0.48843217 1.05706679 1 O O36 1 -0.59041824 -0.26156251 11.33406664 1 O O37 1 0.58224026 0.26156251 3.29541364 1 [/CIF]
Cu4Li8O20Si6
C2/c
15
monoclinic
2/m
3,234.825448
false
[CIF] data_RbC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57983482 _cell_length_b 4.57983482 _cell_length_c 4.57983482 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbC _chemical_formula_sum 'Rb1 C1' _cell_volume 67.92575074 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.00000000 0.00000000 0.00000000 1 Rb Rb1 1 3.23843226 3.23843226 3.23843226 1 [/CIF]
CRb
Fm-3m
225
cubic
m-3m
2,383.004349
false
[CIF] data_NaReOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.94384714 _cell_length_b 5.94384714 _cell_length_c 5.94384714 _cell_angle_alpha 153.50678774 _cell_angle_beta 142.37288244 _cell_angle_gamma 46.60784710 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaReOs _chemical_formula_sum 'Na1 Re1 Os1' _cell_volume 57.00669091 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.01923393 1 Os Os1 1 0.00000000 -0.00000000 7.67440157 1 Re Re2 1 0.00000000 -0.00000000 3.22425239 1 [/CIF]
NaOsRe
Imm2
44
orthorhombic
mm2
11,634.840474
false
[CIF] data_MgIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46633610 _cell_length_b 4.46633610 _cell_length_c 7.68843817 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgIr _chemical_formula_sum 'Mg4 Ir4' _cell_volume 132.82247247 _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 Ir Ir0 1 2.23316805 1.28932017 0.65248584 1 Ir Ir1 1 0.00000000 2.57864035 4.49670493 1 Ir Ir2 1 0.00000000 2.57864035 7.03595233 1 Ir Ir3 1 2.23316805 1.28932017 3.19173324 1 Mg Mg4 1 0.00000000 0.00000000 1.92210954 1 Mg Mg5 1 0.00000000 0.00000000 5.76632863 1 Mg Mg6 1 2.23316805 1.28932017 5.76632863 1 Mg Mg7 1 0.00000000 2.57864035 1.92210954 1 [/CIF]
Ir4Mg4
P6_3/mmc
194
hexagonal
6/mmm
10,827.783377
false
[CIF] data_Ca2TcAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29838178 _cell_length_b 5.29838178 _cell_length_c 5.29838178 _cell_angle_alpha 129.02809549 _cell_angle_beta 129.02809549 _cell_angle_gamma 74.96537114 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2TcAu _chemical_formula_sum 'Ca2 Tc1 Au1' _cell_volume 87.41362799 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 -0.00000000 4.20446341 1 Ca Ca1 1 0.00000000 2.27983958 2.10223170 1 Ca Ca2 1 2.27983958 0.00000000 2.10223170 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuCa2Tc
I4/mmm
139
tetragonal
4/mmm
7,143.601127
false
[CIF] data_NbCoReIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36569080 _cell_length_b 4.36569080 _cell_length_c 4.36569080 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCoReIr _chemical_formula_sum 'Nb1 Co1 Re1 Ir1' _cell_volume 58.83610620 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 1.54350478 1.54350478 1.54350478 1 Nb Nb2 1 3.08700957 3.08700957 3.08700957 1 Re Re3 1 4.63051435 4.63051436 4.63051436 1 [/CIF]
CoIrNbRe
F-43m
216
cubic
-43m
14,965.697746
false
[CIF] data_MnW2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90022162 _cell_length_b 4.03913318 _cell_length_c 5.53948307 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.98406906 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnW2Br _chemical_formula_sum 'Mn1 W2 Br1' _cell_volume 63.23250574 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.62230587 0.00000000 2.69892637 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 1.13950316 2.01956659 1.19720925 1 W W3 1 0.51610672 2.01956659 4.20064350 1 [/CIF]
BrMnW2
P2/m
10
monoclinic
2/m
13,196.653806
false
[CIF] data_KNaCr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92751441 _cell_length_b 4.92751441 _cell_length_c 6.27821094 _cell_angle_alpha 99.09583300 _cell_angle_beta 99.09583300 _cell_angle_gamma 32.67431427 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNaCr2 _chemical_formula_sum 'K1 Na1 Cr2' _cell_volume 81.17097835 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.34000568 0.00000000 5.98255492 1 Cr Cr1 1 1.71922940 0.00000000 5.06461362 1 K K2 1 4.25742574 -0.00000000 3.14013358 1 Na Na3 1 6.74047406 -0.00000000 1.29378329 1 [/CIF]
Cr2KNa
Cm
8
monoclinic
m
3,397.553915
false
[CIF] data_NbCoRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.82636405 _cell_length_b 3.82636405 _cell_length_c 3.79376304 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCoRh2 _chemical_formula_sum 'Nb1 Co1 Rh2' _cell_volume 55.54471929 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 1.91318203 1.91318203 0.00000000 1 Rh Rh2 1 1.91318203 0.00000000 1.89688152 1 Rh Rh3 1 0.00000000 1.91318203 1.89688152 1 [/CIF]
CoNbRh2
P4/mmm
123
tetragonal
4/mmm
10,692.217418
false
[CIF] data_SrTlCoAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05354541 _cell_length_b 5.05354541 _cell_length_c 5.05354541 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTlCoAu _chemical_formula_sum 'Sr1 Tl1 Co1 Au1' _cell_volume 91.25854082 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 1.78669812 1.78669812 1.78669812 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 3.57339623 3.57339623 3.57339623 1 Tl Tl3 1 5.36009435 5.36009435 5.36009435 1 [/CIF]
AuCoSrTl
F-43m
216
cubic
-43m
9,969.636095
false
[CIF] data_P2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56216234 _cell_length_b 4.56216234 _cell_length_c 4.56216234 _cell_angle_alpha 138.32558709 _cell_angle_beta 138.32558709 _cell_angle_gamma 60.40471110 _symmetry_Int_Tables_number 1 _chemical_formula_structural P2W _chemical_formula_sum 'P2 W1' _cell_volume 41.53511574 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 -0.00000000 0.00000000 5.26664510 1 P P1 1 -0.00000000 0.00000000 2.61909010 1 W W2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
P2W
I4/mmm
139
tetragonal
4/mmm
9,826.37894
false
[CIF] data_ZnTc3Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54733629 _cell_length_b 4.54733629 _cell_length_c 4.54733629 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnTc3Br _chemical_formula_sum 'Zn1 Tc3 Br1' _cell_volume 94.03103546 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zn Zn0 1 0.00000000 0.00000000 0.00000000 1 Tc Tc1 1 2.27366814 0.00000000 2.27366814 1 Tc Tc2 1 2.27366814 2.27366814 0.00000000 1 Tc Tc3 1 0.00000000 2.27366814 2.27366814 1 Br Br4 1 2.27366814 2.27366814 2.27366814 1 [/CIF]
BrTc3Zn
Pm-3m
221
cubic
m-3m
7,805.535494
false
[CIF] data_ErTcRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53022526 _cell_length_b 4.53022526 _cell_length_c 4.53022526 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErTcRu2 _chemical_formula_sum 'Er1 Tc1 Ru2' _cell_volume 65.74222425 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.20335300 3.20335300 3.20335300 1 Ru Ru1 1 1.60167650 1.60167650 1.60167650 1 Ru Ru2 1 4.80502950 4.80502950 4.80502950 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
ErRu2Tc
Fm-3m
225
cubic
m-3m
11,828.609216
false
[CIF] data_HfMoBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53814409 _cell_length_b 5.53814409 _cell_length_c 3.52974422 _cell_angle_alpha 107.36267101 _cell_angle_beta 107.36267101 _cell_angle_gamma 112.43466053 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMoBr2 _chemical_formula_sum 'Hf1 Mo1 Br2' _cell_volume 84.43517988 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53972657 2.30152169 0.00000000 1 Br Br1 1 1.53972657 -2.30152169 0.00000000 1 Hf Hf2 1 3.07945313 0.00000000 0.00000000 1 Mo Mo3 1 -0.00000000 0.00000000 0.00000000 1 [/CIF]
Br2HfMo
C2/m
12
monoclinic
2/m
8,540.307192
false
[CIF] data_NaSr2Ca _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.99546965 _cell_length_b 6.99546965 _cell_length_c 7.08052502 _cell_angle_alpha 100.52194855 _cell_angle_beta 100.52194855 _cell_angle_gamma 34.12124540 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSr2Ca _chemical_formula_sum 'Na1 Sr2 Ca1' _cell_volume 190.78703987 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.01137946 -0.00000000 3.47507405 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 9.64731754 -0.00000000 1.74173380 1 Sr Sr3 1 2.37544138 0.00000000 5.20841429 1 [/CIF]
CaNaSr2
C2/m
12
monoclinic
2/m
2,074.141729
false
[CIF] data_NbAl2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90318567 _cell_length_b 2.90318567 _cell_length_c 7.11020653 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbAl2Cu _chemical_formula_sum 'Nb1 Al2 Cu1' _cell_volume 59.92828355 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.45159284 1.45159284 5.54201528 1 Al Al1 1 1.45159284 1.45159284 1.56819125 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Nb Nb3 1 0.00000000 0.00000000 3.55510327 1 [/CIF]
Al2CuNb
P4/mmm
123
tetragonal
4/mmm
5,830.353653
false
[CIF] data_Na2MgRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76267890 _cell_length_b 4.34968773 _cell_length_c 7.33379559 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2MgRu _chemical_formula_sum 'Na2 Mg1 Ru1' _cell_volume 88.12868527 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.04953424 1 Na Na1 1 1.38133945 2.17484387 7.10847139 1 Na Na2 1 0.00000000 0.00000000 2.12950616 1 Ru Ru3 1 1.38133945 2.17484387 4.04697718 1 [/CIF]
MgNa2Ru
Pmm2
25
orthorhombic
mm2
3,228.69795
false
[CIF] data_In2GaSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30996020 _cell_length_b 3.30996020 _cell_length_c 9.39518409 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2GaSb _chemical_formula_sum 'In2 Ga1 Sb1' _cell_volume 102.93210102 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 1.65498010 1.65498010 2.16914159 1 In In2 1 1.65498010 1.65498010 7.22604250 1 Sb Sb3 1 0.00000000 0.00000000 4.69759205 1 [/CIF]
GaIn2Sb
P4/mmm
123
tetragonal
4/mmm
6,793.648864
false
[CIF] data_LaCu2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75497809 _cell_length_b 3.75497809 _cell_length_c 6.61728947 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCu2Te _chemical_formula_sum 'La1 Cu2 Te1' _cell_volume 93.30285806 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 1.87748904 1.87748904 0.45557272 1 Cu Cu1 1 0.00000000 0.00000000 1.08560227 1 La La2 1 1.87748904 1.87748904 3.32661842 1 Te Te3 1 0.00000000 0.00000000 5.05814080 1 [/CIF]
Cu2LaTe
P4mm
99
tetragonal
4mm
7,004.992451
false
[CIF] data_LaBr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79554850 _cell_length_b 4.79554850 _cell_length_c 4.79554850 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaBr3 _chemical_formula_sum 'La1 Br3' _cell_volume 110.28459758 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.39777425 2.39777425 1 Br Br1 1 2.39777425 0.00000000 2.39777425 1 Br Br2 1 2.39777425 2.39777425 0.00000000 1 La La3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br3La
Pm-3m
221
cubic
m-3m
5,700.787907
false
[CIF] data_NbNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80613569 _cell_length_b 2.80613569 _cell_length_c 4.29451205 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbNi _chemical_formula_sum 'Nb1 Ni1' _cell_volume 29.28611703 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.40306786 0.81006159 2.14725602 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NbNi
P-6m2
187
hexagonal
-6m2
8,595.791556
false
[CIF] data_LaMnPtW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66297700 _cell_length_b 4.66297700 _cell_length_c 4.66297700 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMnPtW _chemical_formula_sum 'La1 Mn1 Pt1 W1' _cell_volume 71.69268129 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 3.29722266 3.29722266 3.29722266 1 Mn Mn1 1 -0.00000000 -0.00000000 0.00000000 1 Pt Pt2 1 4.94583399 4.94583399 4.94583399 1 W W3 1 1.64861133 1.64861133 1.64861133 1 [/CIF]
LaMnPtW
F-43m
216
cubic
-43m
13,266.386716
false
[CIF] data_YBeGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21335956 _cell_length_b 4.21335956 _cell_length_c 4.04364254 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YBeGe2 _chemical_formula_sum 'Y1 Be1 Ge2' _cell_volume 71.78435490 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 0.00000000 2.10667978 2.02182127 1 Ge Ge2 1 2.10667978 0.00000000 2.02182127 1 Y Y3 1 2.10667978 2.10667978 0.00000000 1 [/CIF]
BeGe2Y
P4/mmm
123
tetragonal
4/mmm
5,625.839902
false
[CIF] data_SnGe2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79455659 _cell_length_b 4.79455659 _cell_length_c 4.79455659 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnGe2Pt _chemical_formula_sum 'Sn1 Ge2 Pt1' _cell_volume 77.93460704 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.08539522 5.08539522 5.08539522 1 Ge Ge1 1 1.69513174 1.69513174 1.69513174 1 Pt Pt2 1 3.39026348 3.39026348 3.39026348 1 Sn Sn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ge2PtSn
Fm-3m
225
cubic
m-3m
9,781.409574
false
[CIF] data_ScIn2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32935910 _cell_length_b 5.32935910 _cell_length_c 3.00090072 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.64875793 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScIn2W _chemical_formula_sum 'Sc1 In2 W1' _cell_volume 79.21978272 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 1.49683420 -2.20454178 1.50045036 1 In In1 1 1.49683420 2.20454178 1.50045036 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 2.99366840 -0.00000000 0.00000000 1 [/CIF]
In2ScW
Cmmm
65
orthorhombic
mmm
9,610.097267
false
[CIF] data_Hf2SnAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34145887 _cell_length_b 4.34145887 _cell_length_c 4.33878376 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2SnAu _chemical_formula_sum 'Hf2 Sn1 Au1' _cell_volume 81.77854661 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 2.17072944 2.17072944 0.00000000 1 Hf Hf1 1 2.17072944 0.00000000 2.16939188 1 Hf Hf2 1 0.00000000 2.17072944 2.16939188 1 Sn Sn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuHf2Sn
P4/mmm
123
tetragonal
4/mmm
13,658.502842
false
[CIF] data_NaZrB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61859921 _cell_length_b 3.61859921 _cell_length_c 6.02852254 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZrB _chemical_formula_sum 'Na1 Zr1 B1' _cell_volume 68.36321663 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.73108036 1 Na Na1 1 -0.00000000 2.08919923 1.51318436 1 Zr Zr2 1 1.80929961 1.04459961 4.81278030 1 [/CIF]
BNaZr
P3m1
156
trigonal
3m
3,036.845303
false
[CIF] data_Cd3W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86037320 _cell_length_b 4.87943285 _cell_length_c 5.61400228 _cell_angle_alpha 90.00000000 _cell_angle_beta 96.86629748 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd3W _chemical_formula_sum 'Cd3 W1' _cell_volume 77.79265201 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.09402271 2.43971643 4.09849371 1 Cd Cd1 1 2.09518047 2.43971643 1.47524403 1 Cd Cd2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 1.09460159 0.00000000 2.78686887 1 [/CIF]
Cd3W
P2/m
10
monoclinic
2/m
11,122.670981
false
[CIF] data_Sr2P4Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.97810963 _cell_length_b 11.26975537 _cell_length_c 3.54205253 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2P4Pb _chemical_formula_sum 'Sr4 P8 Pb2' _cell_volume 358.38876846 _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 P P0 1 2.63478429 9.93680556 1.77102626 1 P P1 1 6.34332534 1.33294981 1.77102626 1 P P2 1 1.85427053 4.30192787 1.77102626 1 P P3 1 7.12383910 6.96782750 1.77102626 1 P P4 1 3.41134238 8.63908275 0.00000000 1 P P5 1 5.56676725 2.63067262 0.00000000 1 P P6 1 1.07771244 3.00420506 0.00000000 1 P P7 1 7.90039719 8.26555031 0.00000000 1 Pb Pb8 1 0.00000000 0.00000000 0.00000000 1 Pb Pb9 1 4.48905482 5.63487768 0.00000000 1 Sr Sr10 1 1.25679637 7.29276396 1.77102626 1 Sr Sr11 1 7.72131326 3.97699141 1.77102626 1 Sr Sr12 1 3.23225845 1.65788627 1.77102626 1 Sr Sr13 1 5.74585118 9.61186910 1.77102626 1 [/CIF]
P8Pb2Sr4
Pbam
55
orthorhombic
mmm
4,692.050655
false
[CIF] data_NbOsPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29498678 _cell_length_b 4.29498678 _cell_length_c 4.29498678 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbOsPt _chemical_formula_sum 'Nb1 Os1 Pt1' _cell_volume 56.02353357 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 4.55552142 4.55552142 4.55552142 1 Pt Pt2 1 1.51850714 1.51850714 1.51850714 1 [/CIF]
NbOsPt
F-43m
216
cubic
-43m
14,174.465137
false
[CIF] data_LaTcTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21417090 _cell_length_b 5.21417090 _cell_length_c 5.21417090 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTcTe2 _chemical_formula_sum 'La1 Tc1 Te2' _cell_volume 100.23993726 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.53046340 5.53046340 5.53046340 1 Tc Tc1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 1.84348780 1.84348780 1.84348780 1 Te Te3 1 3.68697560 3.68697560 3.68697560 1 [/CIF]
LaTcTe2
F-43m
216
cubic
-43m
8,167.055574
false
[CIF] data_ZrTiBe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05493827 _cell_length_b 3.05493827 _cell_length_c 6.08796606 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTiBe2 _chemical_formula_sum 'Zr1 Ti1 Be2' _cell_volume 56.81684326 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.52746914 1.52746914 4.74952861 1 Be Be1 1 1.52746914 1.52746914 1.33843745 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 0.00000000 0.00000000 3.04398303 1 [/CIF]
Be2TiZr
P4/mmm
123
tetragonal
4/mmm
4,591.881296
false
[CIF] data_LaTlCuBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33847468 _cell_length_b 5.33847468 _cell_length_c 5.33847468 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTlCuBi _chemical_formula_sum 'La1 Tl1 Cu1 Bi1' _cell_volume 107.58124472 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.88743583 1.88743583 1.88743583 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 La La2 1 5.66230748 5.66230748 5.66230748 1 Tl Tl3 1 3.77487165 3.77487165 3.77487165 1 [/CIF]
BiCuLaTl
F-43m
216
cubic
-43m
9,505.236255
false
[CIF] data_NaCoAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.70080845 _cell_length_b 5.70080845 _cell_length_c 5.70080845 _cell_angle_alpha 152.31735243 _cell_angle_beta 137.14453363 _cell_angle_gamma 51.78558132 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCoAu _chemical_formula_sum 'Na1 Co1 Au1' _cell_volume 58.26795085 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.77622203 1 Co Co1 1 0.00000000 -0.00000000 3.93651348 1 Na Na2 1 0.00000000 0.00000000 6.80134397 1 [/CIF]
AuCoNa
Imm2
44
orthorhombic
mm2
7,947.884875
false
[CIF] data_La2BiRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64954603 _cell_length_b 3.64954603 _cell_length_c 8.29794015 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2BiRh _chemical_formula_sum 'La2 Bi1 Rh1' _cell_volume 110.52181014 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.14897008 1 La La1 1 1.82477302 1.82477302 6.57054600 1 La La2 1 1.82477302 1.82477302 1.72739415 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiLa2Rh
P4/mmm
123
tetragonal
4/mmm
8,859.922209
false
[CIF] data_ZnHgSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80131771 _cell_length_b 4.80131771 _cell_length_c 4.80131771 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnHgSb _chemical_formula_sum 'Zn1 Hg1 Sb1' _cell_volume 78.26477410 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69752216 1.69752216 1.69752216 1 Sb Sb1 1 3.39504431 3.39504431 3.39504431 1 Zn Zn2 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
HgSbZn
F-43m
216
cubic
-43m
8,226.444396
false
[CIF] data_KAsIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14583967 _cell_length_b 4.14583967 _cell_length_c 4.09937814 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KAsIr2 _chemical_formula_sum 'K1 As1 Ir2' _cell_volume 70.46005641 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.07291983 2.07291983 0.00000000 1 Ir Ir1 1 2.07291983 0.00000000 2.04968907 1 Ir Ir2 1 0.00000000 2.07291983 2.04968907 1 K K3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsIr2K
P4/mmm
123
tetragonal
4/mmm
11,747.111995
false
[CIF] data_Y2TlRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.76133004 _cell_length_b 4.97357908 _cell_length_c 5.00711763 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2TlRe _chemical_formula_sum 'Y2 Tl1 Re1' _cell_volume 93.66951338 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Re Re0 1 1.88066502 0.00000000 3.04272844 1 Tl Tl1 1 1.88066502 2.48678954 0.69835732 1 Y Y2 1 0.00000000 0.00000000 0.61389956 1 Y Y3 1 0.00000000 2.48678954 3.15569112 1 [/CIF]
ReTlY2
Pmm2
25
orthorhombic
mm2
10,076.444596
false
[CIF] data_LaZrCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66165876 _cell_length_b 4.66165876 _cell_length_c 4.66165876 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZrCo _chemical_formula_sum 'La1 Zr1 Co1' _cell_volume 71.63189493 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 1.64814526 1.64814526 1.64814526 1 Zr Zr2 1 4.94443578 4.94443578 4.94443578 1 [/CIF]
CoLaZr
F-43m
216
cubic
-43m
6,700.923498
false
[CIF] data_SrCoO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88906485 _cell_length_b 5.45153600 _cell_length_c 9.31218105 _cell_angle_alpha 90.00000000 _cell_angle_beta 95.74046308 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCoO3 _chemical_formula_sum 'Sr4 Co4 O12' _cell_volume 246.95209007 _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 0.00000000 0.00000000 0.00000000 1 Co Co1 1 0.00000000 2.72576800 0.00000000 1 Co Co2 1 2.43488839 4.08865200 0.02937149 1 Co Co3 1 1.52274933 1.36288400 9.23611066 1 O O4 1 0.83692127 1.36288400 0.95838330 1 O O5 1 0.80673626 4.08865200 0.99072159 1 O O6 1 3.28554800 0.00478999 1.01521026 1 O O7 1 3.28554800 2.72097801 1.01521026 1 O O8 1 1.94552639 4.08865200 3.65176213 1 O O9 1 4.48594676 1.36288400 3.65420035 1 O O10 1 -0.52830904 4.08865200 5.61128180 1 O O11 1 2.01211133 1.36288400 5.61372001 1 O O12 1 0.67208972 2.73055799 8.25027188 1 O O13 1 0.67208972 5.44674601 8.25027188 1 O O14 1 3.15090146 1.36288400 8.27476055 1 O O15 1 3.12071645 4.08865200 8.30709885 1 Sr Sr16 1 4.37591347 4.08865200 3.18290567 1 Sr Sr17 1 2.04783759 1.36288400 3.18458698 1 Sr Sr18 1 1.90980013 4.08865200 6.08089516 1 Sr Sr19 1 -0.41827575 1.36288400 6.08257648 1 [/CIF]
Co4O12Sr4
P2_1/m
11
monoclinic
2/m
5,232.758982
false
[CIF] data_TcPd2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93750527 _cell_length_b 2.93750527 _cell_length_c 8.30885062 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcPd2Pb _chemical_formula_sum 'Tc1 Pd2 Pb1' _cell_volume 71.69655030 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 4.15442531 1 Pd Pd1 1 1.46875263 1.46875263 6.52385692 1 Pd Pd2 1 1.46875263 1.46875263 1.78499370 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PbPd2Tc
P4/mmm
123
tetragonal
4/mmm
12,019.133905
false
[CIF] data_Sr2GeOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.43003250 _cell_length_b 3.43003250 _cell_length_c 9.13953517 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2GeOs _chemical_formula_sum 'Sr2 Ge1 Os1' _cell_volume 107.52775510 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.20788097 1 Os Os1 1 1.71501625 1.71501625 6.22291208 1 Sr Sr2 1 0.00000000 0.00000000 8.38973803 1 Sr Sr3 1 1.71501625 1.71501625 3.02830684 1 [/CIF]
GeOsSr2
P4mm
99
tetragonal
4mm
6,765.691106
false
[CIF] data_KCdNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36902064 _cell_length_b 3.36902064 _cell_length_c 7.25737989 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCdNi2 _chemical_formula_sum 'K1 Cd1 Ni2' _cell_volume 82.37343949 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.62868995 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 1.68451032 1.68451032 2.41738309 1 Ni Ni3 1 1.68451032 1.68451032 4.83999680 1 [/CIF]
CdKNi2
P4/mmm
123
tetragonal
4/mmm
5,420.588015
false
[CIF] data_Al(CuSi)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74056501 _cell_length_b 8.32249997 _cell_length_c 3.79266732 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al(CuSi)2 _chemical_formula_sum 'Al2 Cu4 Si4' _cell_volume 149.63343938 _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 Al Al0 1 0.00000000 0.00000000 0.00000000 1 Al Al1 1 2.37028251 4.16124999 0.00000000 1 Cu Cu2 1 3.92335171 1.69356932 1.89633366 1 Cu Cu3 1 0.81721330 6.62893065 1.89633366 1 Cu Cu4 1 1.55306921 2.46768066 1.89633366 1 Cu Cu5 1 3.18749580 5.85481931 1.89633366 1 Si Si6 1 0.10050789 2.92272583 0.00000000 1 Si Si7 1 4.64005712 5.39977414 0.00000000 1 Si Si8 1 2.47079040 1.23852415 0.00000000 1 Si Si9 1 2.26977461 7.08397582 0.00000000 1 [/CIF]
Al2Cu4Si4
Pbam
55
orthorhombic
mmm
4,666.326876
false
[CIF] data_MnAg2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03693829 _cell_length_b 3.03693829 _cell_length_c 6.91359361 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnAg2P _chemical_formula_sum 'Mn1 Ag2 P1' _cell_volume 63.76403361 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.51846915 1.51846915 6.81457595 1 Ag Ag1 1 0.00000000 0.00000000 1.88619247 1 Mn Mn2 1 1.51846915 1.51846915 3.83605325 1 P P3 1 0.00000000 0.00000000 4.74716236 1 [/CIF]
Ag2MnP
P4mm
99
tetragonal
4mm
7,855.679748
false
[CIF] data_NiS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37797675 _cell_length_b 4.37797675 _cell_length_c 2.55318616 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiS2 _chemical_formula_sum 'Ni1 S2' _cell_volume 42.37990847 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 S S1 1 2.18898837 1.26381303 1.27659308 1 S S2 1 -0.00000000 2.52762605 1.27659308 1 [/CIF]
NiS2
P6/mmm
191
hexagonal
6/mmm
4,810.189721
false
[CIF] data_Sr2LiSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61074478 _cell_length_b 4.61074478 _cell_length_c 6.56833666 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2LiSe _chemical_formula_sum 'Sr2 Li1 Se1' _cell_volume 139.63605510 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 2.61308623 1 Se Se1 1 2.30537239 2.30537239 5.64553909 1 Sr Sr2 1 0.00000000 0.00000000 5.84921316 1 Sr Sr3 1 2.30537239 2.30537239 2.31300310 1 [/CIF]
LiSeSr2
P4mm
99
tetragonal
4mm
3,105.592688
false
[CIF] data_K2CaBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93650564 _cell_length_b 4.93650564 _cell_length_c 6.33957525 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2CaBe _chemical_formula_sum 'K2 Ca1 Be1' _cell_volume 154.48966673 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ca Ca1 1 2.46825282 2.46825282 0.00000000 1 K K2 1 2.46825282 0.00000000 3.16978763 1 K K3 1 0.00000000 2.46825282 3.16978763 1 [/CIF]
BeCaK2
P4/mmm
123
tetragonal
4/mmm
1,368.147648
false
[CIF] data_BePt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07601227 _cell_length_b 5.07601227 _cell_length_c 5.07601227 _cell_angle_alpha 40.55372839 _cell_angle_beta 40.55372839 _cell_angle_gamma 40.55372839 _symmetry_Int_Tables_number 1 _chemical_formula_structural BePt _chemical_formula_sum 'Be2 Pt2' _cell_volume 49.86689441 _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 Be Be0 1 0.00000000 -0.00000000 4.32312008 1 Be Be1 1 -0.00000000 -0.00000000 9.63247975 1 Pt Pt2 1 -0.00000000 0.00000000 1.35998214 1 Pt Pt3 1 -0.00000000 -0.00000000 12.59561770 1 [/CIF]
Be2Pt2
R-3m
166
trigonal
-3m
13,592.572267
false
[CIF] data_CaCdSnPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99689905 _cell_length_b 4.99689905 _cell_length_c 4.99689905 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCdSnPd _chemical_formula_sum 'Ca1 Cd1 Sn1 Pd1' _cell_volume 88.22399667 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Cd Cd1 1 5.30001180 5.30001180 5.30001180 1 Pd Pd2 1 1.76667060 1.76667060 1.76667060 1 Sn Sn3 1 3.53334120 3.53334120 3.53334120 1 [/CIF]
CaCdPdSn
F-43m
216
cubic
-43m
7,107.48918
false
[CIF] data_LaSn2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59788393 _cell_length_b 3.59788393 _cell_length_c 7.06085702 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaSn2B _chemical_formula_sum 'La1 Sn2 B1' _cell_volume 91.40116147 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 0.00000000 0.00000000 3.53042851 1 Sn Sn2 1 1.79894197 1.79894197 5.69450966 1 Sn Sn3 1 1.79894197 1.79894197 1.36634736 1 [/CIF]
BLaSn2
P4/mmm
123
tetragonal
4/mmm
7,033.337676
false
[CIF] data_FePRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.77140006 _cell_length_b 2.77140006 _cell_length_c 6.55775077 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FePRh2 _chemical_formula_sum 'Fe1 P1 Rh2' _cell_volume 50.36784283 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.38570003 1.38570003 3.59250532 1 P P1 1 0.00000000 0.00000000 4.76678523 1 Rh Rh2 1 1.38570003 1.38570003 6.27797240 1 Rh Rh3 1 0.00000000 0.00000000 1.75711404 1 [/CIF]
FePRh2
P4mm
99
tetragonal
4mm
9,647.487852
false
[CIF] data_BaZrAu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75834789 _cell_length_b 5.75834789 _cell_length_c 5.75834789 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaZrAu4 _chemical_formula_sum 'Ba1 Zr1 Au4' _cell_volume 135.01396741 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.09687646 5.09687646 3.04665722 1 Au Au1 1 5.09687646 3.04665722 5.09687646 1 Au Au2 1 3.04665722 5.09687646 5.09687646 1 Au Au3 1 3.04665722 3.04665722 3.04665722 1 Ba Ba4 1 6.10765026 6.10765026 6.10765026 1 Zr Zr5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au4BaZr
F-43m
216
cubic
-43m
12,500.933253
false
[CIF] data_Ni2MoW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67232852 _cell_length_b 4.67232852 _cell_length_c 4.67232852 _cell_angle_alpha 133.93700704 _cell_angle_beta 131.69449284 _cell_angle_gamma 68.95962886 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2MoW _chemical_formula_sum 'Ni2 Mo1 W1' _cell_volume 53.83981265 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.91791096 1 Ni Ni1 1 0.00000000 1.91178019 3.81937639 1 Ni Ni2 1 -0.00000000 0.00000000 5.80623427 1 W W3 1 -0.00000000 1.91178019 0.01103961 1 [/CIF]
MoNi2W
Imm2
44
orthorhombic
mm2
12,250.120601
false
[CIF] data_SiPb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.47322067 _cell_length_b 5.39706662 _cell_length_c 6.13780003 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiPb3 _chemical_formula_sum 'Si1 Pb3' _cell_volume 115.05430963 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 2.69853331 0.14480224 1 Pb Pb1 1 1.73661033 2.69853331 2.92266871 1 Pb Pb2 1 1.73661033 0.00000000 4.88160093 1 Si Si3 1 0.00000000 0.00000000 2.28059486 1 [/CIF]
Pb3Si
Pmm2
25
orthorhombic
mm2
9,376.686168
false
[CIF] data_Fe2WBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.99511748 _cell_length_b 2.99511748 _cell_length_c 6.73303371 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2WBr _chemical_formula_sum 'Fe2 W1 Br1' _cell_volume 60.40021887 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 5.05805954 1 Fe Fe1 1 1.49755874 1.49755874 0.29148145 1 Fe Fe2 1 0.00000000 0.00000000 1.63841070 1 W W3 1 1.49755874 1.49755874 3.11159888 1 [/CIF]
BrFe2W
P4mm
99
tetragonal
4mm
10,321.532531
false
[CIF] data_LiZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.13066919 _cell_length_b 9.13066919 _cell_length_c 9.13066919 _cell_angle_alpha 158.68829656 _cell_angle_beta 158.68829656 _cell_angle_gamma 30.31833911 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZn2 _chemical_formula_sum 'Li2 Zn4' _cell_volume 100.48578216 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 0.00000000 1 Li Li1 1 0.00000000 1.68834679 4.40647507 1 Zn Zn2 1 0.00000000 0.00000000 10.10276611 1 Zn Zn3 1 1.68834679 -0.00000000 3.11665910 1 Zn Zn4 1 0.00000000 -0.00000000 7.52313417 1 Zn Zn5 1 1.68834679 0.00000000 5.69629104 1 [/CIF]
Li2Zn4
I4_1/amd
141
tetragonal
4/mmm
4,551.635749
false
[CIF] data_Nb7Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.57014838 _cell_length_b 6.57014838 _cell_length_c 6.57014838 _cell_angle_alpha 89.57062942 _cell_angle_beta 89.57062942 _cell_angle_gamma 89.57062942 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb7Mo _chemical_formula_sum 'Nb14 Mo2' _cell_volume 283.58883541 _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 -0.00000000 -0.00000000 10.03945270 1 Mo Mo1 1 -0.00000000 0.00000000 1.42533981 1 Nb Nb2 1 -0.00000000 -0.00000000 7.17817366 1 Nb Nb3 1 0.00000000 2.70085985 5.25997645 1 Nb Nb4 1 -2.33901324 -1.35042993 5.25997645 1 Nb Nb5 1 -2.33925674 1.35057051 3.33784115 1 Nb Nb6 1 0.00000000 2.70114102 8.12695135 1 Nb Nb7 1 -2.33925674 -1.35057051 8.12695135 1 Nb Nb8 1 -2.33901324 1.35042993 6.20481606 1 Nb Nb9 1 2.33901324 -1.35042993 5.25997645 1 Nb Nb10 1 2.33925674 1.35057051 3.33784115 1 Nb Nb11 1 -0.00000000 -2.70114102 3.33784115 1 Nb Nb12 1 2.33925674 -1.35057051 8.12695135 1 Nb Nb13 1 2.33901324 1.35042993 6.20481606 1 Nb Nb14 1 -0.00000000 -2.70085985 6.20481606 1 Nb Nb15 1 0.00000000 0.00000000 4.28661885 1 [/CIF]
Mo2Nb14
R-3m
166
trigonal
-3m
8,739.893037
false
[CIF] data_SrNb2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96796778 _cell_length_b 3.96796778 _cell_length_c 5.25823468 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrNb2Rh _chemical_formula_sum 'Sr1 Nb2 Rh1' _cell_volume 82.78968672 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.98398389 2.62911734 1 Nb Nb1 1 1.98398389 0.00000000 2.62911734 1 Rh Rh2 1 1.98398389 1.98398389 0.00000000 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Nb2RhSr
P4/mmm
123
tetragonal
4/mmm
7,548.336124
false
[CIF] data_K2P3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.62669641 _cell_length_b 8.42428147 _cell_length_c 6.42487941 _cell_angle_alpha 69.54646549 _cell_angle_beta 66.20166008 _cell_angle_gamma 44.25187443 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2P3 _chemical_formula_sum 'K4 P6' _cell_volume 296.78123914 _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 K K0 1 6.52350868 7.09378278 10.82233803 1 K K1 1 2.17450289 2.36459426 3.60744601 1 K K2 1 4.34900578 2.56797774 7.21489202 1 K K3 1 4.34900578 6.89039930 7.21489202 1 P P4 1 6.82165477 4.72918852 6.12989492 1 P P5 1 6.82165477 4.72918852 8.29988913 1 P P6 1 1.87635680 4.72918852 8.29988913 1 P P7 1 1.87635680 4.72918852 6.12989492 1 P P8 1 4.34900578 4.72918852 12.24795741 1 P P9 1 4.34900578 4.72918852 2.18182664 1 [/CIF]
K4P6
Fmmm
69
orthorhombic
mmm
1,914.864535
false
[CIF] data_Hf2GeSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64787973 _cell_length_b 3.64787973 _cell_length_c 6.16346336 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2GeSb _chemical_formula_sum 'Hf2 Ge1 Sb1' _cell_volume 82.01737041 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 1.82393987 1.82393987 1.47760411 1 Hf Hf2 1 1.82393987 1.82393987 4.68585925 1 Sb Sb3 1 0.00000000 0.00000000 3.08173168 1 [/CIF]
GeHf2Sb
P4/mmm
123
tetragonal
4/mmm
11,163.380749
false
[CIF] data_ZnCd2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08715316 _cell_length_b 4.30634480 _cell_length_c 6.09326467 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCd2Ge _chemical_formula_sum 'Zn1 Cd2 Ge1' _cell_volume 81.00596853 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.54357658 2.15317240 6.02436167 1 Cd Cd1 1 0.00000000 0.00000000 1.56294451 1 Ge Ge2 1 1.54357658 2.15317240 3.14604773 1 Zn Zn3 1 0.00000000 0.00000000 4.49980771 1 [/CIF]
Cd2GeZn
Pmm2
25
orthorhombic
mm2
7,437.887935
false
[CIF] data_KCrCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21732734 _cell_length_b 5.21732734 _cell_length_c 5.21732734 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCrCd2 _chemical_formula_sum 'K1 Cr1 Cd2' _cell_volume 100.42209070 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.53381131 5.53381131 5.53381131 1 Cd Cd1 1 1.84460377 1.84460377 1.84460377 1 Cr Cr2 1 3.68920754 3.68920754 3.68920754 1 K K3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cd2CrK
Fm-3m
225
cubic
m-3m
5,223.865788
false
[CIF] data_ZnCoNiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42082180 _cell_length_b 4.42082180 _cell_length_c 4.42082180 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCoNiPb _chemical_formula_sum 'Zn1 Co1 Ni1 Pb1' _cell_volume 61.09336244 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 4.68898960 4.68898960 4.68898960 1 Pb Pb2 1 1.56299654 1.56299654 1.56299653 1 Zn Zn3 1 3.12599307 3.12599307 3.12599307 1 [/CIF]
CoNiPbZn
F-43m
216
cubic
-43m
10,605.952417
false
[CIF] data_Tl2RhW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91381337 _cell_length_b 4.91381337 _cell_length_c 5.47851764 _cell_angle_alpha 100.76047139 _cell_angle_beta 100.76047139 _cell_angle_gamma 36.11070401 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2RhW _chemical_formula_sum 'Tl2 Rh1 W1' _cell_volume 76.44202648 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 0.00000000 1 Tl Tl1 1 1.55994233 -0.00000000 4.05190822 1 Tl Tl2 1 6.70791220 -0.00000000 1.31993812 1 W W3 1 4.13392727 0.00000000 2.68592317 1 [/CIF]
RhTl2W
C2/m
12
monoclinic
2/m
15,108.508585
false
[CIF] data_La2Zn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.51381809 _cell_length_b 5.87412463 _cell_length_c 9.43157387 _cell_angle_alpha 62.61011683 _cell_angle_beta 37.77816818 _cell_angle_gamma 79.61171499 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2Zn3 _chemical_formula_sum 'La4 Zn6' _cell_volume 241.55765126 _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 3.29324098 8.77694409 3.66046313 1 La La1 1 6.80377118 7.15631321 3.66046313 1 La La2 1 5.81749402 11.13962754 5.16195626 1 La La3 1 9.32802422 12.76025841 5.16195626 1 Zn Zn4 1 5.80336664 9.91803753 2.13398582 1 Zn Zn5 1 4.29364552 6.01521977 2.13398582 1 Zn Zn6 1 8.32761968 9.99853410 3.63547895 1 Zn Zn7 1 6.81789856 13.90135185 3.63547895 1 Zn Zn8 1 5.04850608 7.96662865 0.42304722 1 Zn Zn9 1 2.52425304 3.98331433 1.92454035 1 [/CIF]
La4Zn6
Fdd2
43
orthorhombic
mm2
6,516.159164
false