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_ZrGeMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44747827 _cell_length_b 5.44747827 _cell_length_c 5.44747827 _cell_angle_alpha 138.89986735 _cell_angle_beta 138.89986735 _cell_angle_gamma 59.52756724 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrGeMo2 _chemical_formula_sum 'Zr1 Ge1 Mo2' _cell_volume 69.16460122 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 1.91220505 -0.00000000 2.36442188 1 Mo Mo2 1 0.00000000 1.91220505 2.36442188 1 Zr Zr3 1 0.00000000 -0.00000000 4.72884375 1 [/CIF]
GeMo2Zr
I4/mmm
139
tetragonal
4/mmm
8,541.843962
false
[CIF] data_VSnMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52733197 _cell_length_b 4.52733197 _cell_length_c 4.52733197 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VSnMo2 _chemical_formula_sum 'V1 Sn1 Mo2' _cell_volume 65.61634349 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 1.60065357 1.60065357 1.60065357 1 Mo Mo1 1 4.80196071 4.80196071 4.80196071 1 Sn Sn2 1 3.20130714 3.20130714 3.20130714 1 V V3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
Mo2SnV
Fm-3m
225
cubic
m-3m
9,150.214248
false
[CIF] data_ScSbOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.14663456 _cell_length_b 6.14663456 _cell_length_c 6.14663456 _cell_angle_alpha 149.92578201 _cell_angle_beta 149.92578201 _cell_angle_gamma 43.05035762 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScSbOs _chemical_formula_sum 'Sc1 Sb1 Os1' _cell_volume 58.16531777 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 0.00000000 0.00000000 11.40285501 1 Sb Sb1 1 -0.00000000 0.00000000 4.07702250 1 Sc Sc2 1 0.00000000 0.00000000 7.39190749 1 [/CIF]
OsSbSc
I4mm
107
tetragonal
4mm
10,190.31021
false
[CIF] data_V2GaCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80462651 _cell_length_b 4.80462651 _cell_length_c 4.80462651 _cell_angle_alpha 137.07024979 _cell_angle_beta 137.07024979 _cell_angle_gamma 62.32998090 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2GaCo _chemical_formula_sum 'V2 Ga1 Co1' _cell_volume 50.83331742 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 0.00000000 1 Ga Ga1 1 0.00000000 0.00000000 4.11122585 1 V V2 1 0.00000000 1.75816068 2.05561293 1 V V3 1 1.75816068 -0.00000000 2.05561293 1 [/CIF]
CoGaV2
I4/mmm
139
tetragonal
4/mmm
7,530.874614
false
[CIF] data_V2CuAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75590727 _cell_length_b 4.75590727 _cell_length_c 4.75590727 _cell_angle_alpha 134.64015961 _cell_angle_beta 134.64015961 _cell_angle_gamma 66.08982729 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2CuAs _chemical_formula_sum 'V2 Cu1 As1' _cell_volume 53.62475867 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.83379560 -0.00000000 1.99330388 1 Cu Cu1 1 0.00000000 0.00000000 3.98660775 1 V V2 1 -0.00000000 1.83379560 1.99330388 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsCuV2
I-4m2
119
tetragonal
-42m
7,442.673326
false
[CIF] data_NaCdRuRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57496864 _cell_length_b 4.57496864 _cell_length_c 4.57496864 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCdRuRh _chemical_formula_sum 'Na1 Cd1 Ru1 Rh1' _cell_volume 67.70946261 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61749568 1.61749568 1.61749568 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 3.23499135 3.23499135 3.23499135 1 Ru Ru3 1 4.85248703 4.85248703 4.85248703 1 [/CIF]
CdNaRhRu
F-43m
216
cubic
-43m
8,323.02505
false
[CIF] data_TiCo2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69428703 _cell_length_b 4.69428703 _cell_length_c 4.18611780 _cell_angle_alpha 115.26904939 _cell_angle_beta 115.26904939 _cell_angle_gamma 37.12603362 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCo2Mo _chemical_formula_sum 'Ti1 Co2 Mo1' _cell_volume 49.71314686 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.83386014 -0.00000000 2.85165553 1 Co Co1 1 6.18127061 -0.00000000 0.88604149 1 Mo Mo2 1 3.50756538 -0.00000000 1.86884851 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co2MoTi
C2/m
12
monoclinic
2/m
8,741.190711
false
[CIF] data_TaTc2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41640369 _cell_length_b 4.41640369 _cell_length_c 4.41640369 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTc2Ge _chemical_formula_sum 'Ta1 Tc2 Ge1' _cell_volume 60.91037810 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ta Ta1 1 3.12286900 3.12286900 3.12286900 1 Tc Tc2 1 1.56143450 1.56143450 1.56143450 1 Tc Tc3 1 4.68430350 4.68430350 4.68430350 1 [/CIF]
GeTaTc2
Fm-3m
225
cubic
m-3m
12,306.076945
false
[CIF] data_Zr2TcAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.57290190 _cell_length_b 5.57290190 _cell_length_c 5.57290190 _cell_angle_alpha 143.54383522 _cell_angle_beta 131.30866541 _cell_angle_gamma 62.32685605 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2TcAu _chemical_formula_sum 'Zr2 Tc1 Au1' _cell_volume 76.39084207 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 -0.00000000 2.29737674 0.08582826 1 Tc Tc1 1 0.00000000 0.00000000 7.26027295 1 Zr Zr2 1 -0.00000000 2.29737674 4.60908827 1 Zr Zr3 1 0.00000000 -0.00000000 2.35091910 1 [/CIF]
AuTcZr2
Imm2
44
orthorhombic
mm2
10,397.454744
false
[CIF] data_Zr2Fe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95993681 _cell_length_b 3.95993681 _cell_length_c 6.21350008 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Fe3 _chemical_formula_sum 'Zr2 Fe3' _cell_volume 84.38076353 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 1.97996840 1.14313529 5.47440915 1 Fe Fe2 1 0.00000000 2.28627058 0.73909093 1 Zr Zr3 1 1.97996840 1.14313529 1.99836104 1 Zr Zr4 1 0.00000000 2.28627058 4.21513904 1 [/CIF]
Fe3Zr2
P-3m1
164
trigonal
-3m
6,887.357019
false
[CIF] data_Si3PBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75914278 _cell_length_b 4.75914278 _cell_length_c 4.75914278 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si3PBr _chemical_formula_sum 'Si3 P1 Br1' _cell_volume 107.79191885 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Si Si1 1 0.00000000 2.37957139 0.00000000 1 Si Si2 1 0.00000000 0.00000000 2.37957139 1 Si Si3 1 2.37957139 0.00000000 0.00000000 1 Br Br4 1 2.37957139 2.37957139 2.37957139 1 [/CIF]
BrPSi3
Pm-3m
221
cubic
m-3m
3,006.051555
false
[CIF] data_V2CrCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68631603 _cell_length_b 4.68631603 _cell_length_c 5.06777556 _cell_angle_alpha 93.37046889 _cell_angle_beta 93.37046889 _cell_angle_gamma 32.23511555 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2CrCd _chemical_formula_sum 'V2 Cr1 Cd1' _cell_volume 59.25357032 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 4.35253164 -0.00000000 2.53019967 1 Cr Cr1 1 1.95642124 -0.00000000 3.93237939 1 V V2 1 -0.29951165 -0.00000000 5.03476641 1 V V3 1 6.72157268 0.00000000 1.14834704 1 [/CIF]
CdCrV2
Cm
8
monoclinic
m
7,462.590215
false
[CIF] data_SbAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28224448 _cell_length_b 4.28224448 _cell_length_c 4.28224448 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbAu _chemical_formula_sum 'Sb1 Au1' _cell_volume 55.52638201 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.51400205 1.51400205 1.51400205 1 Sb Sb1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuSb
F-43m
216
cubic
-43m
9,531.647845
false
[CIF] data_SrTaInRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86443672 _cell_length_b 4.86443672 _cell_length_c 4.86443672 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTaInRu _chemical_formula_sum 'Sr1 Ta1 In1 Ru1' _cell_volume 81.39217914 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.15951429 5.15951429 5.15951429 1 Ru Ru1 1 3.43967619 3.43967619 3.43967619 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 1.71983810 1.71983810 1.71983810 1 [/CIF]
InRuSrTa
F-43m
216
cubic
-43m
9,883.724988
false
[CIF] data_YCo2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55734369 _cell_length_b 4.09604942 _cell_length_c 5.31141001 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCo2Br _chemical_formula_sum 'Y1 Co2 Br1' _cell_volume 77.39285039 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Co Co1 1 0.00000000 2.04802471 1.55351424 1 Co Co2 1 0.00000000 2.04802471 3.75789578 1 Y Y3 1 1.77867184 0.00000000 2.65570501 1 [/CIF]
BrCo2Y
Pmmm
47
orthorhombic
mmm
6,151.217097
false
[CIF] data_HfTe2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83056494 _cell_length_b 4.83056494 _cell_length_c 3.65211117 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTe2Pd _chemical_formula_sum 'Hf1 Te2 Pd1' _cell_volume 85.21966801 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.41528247 2.41528247 0.00000000 1 Pd Pd1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 0.00000000 2.41528247 1.82605558 1 Te Te3 1 2.41528247 0.00000000 1.82605558 1 [/CIF]
HfPdTe2
P4/mmm
123
tetragonal
4/mmm
10,524.265344
false
[CIF] data_SmZrPa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31623667 _cell_length_b 5.31623667 _cell_length_c 5.31623667 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmZrPa2 _chemical_formula_sum 'Sm1 Zr1 Pa2' _cell_volume 106.24241218 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pa Pa0 1 1.87957350 1.87957350 1.87957350 1 Pa Pa1 1 5.63872050 5.63872050 5.63872050 1 Sm Sm2 1 3.75914700 3.75914700 3.75914700 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pa2SmZr
Fm-3m
225
cubic
m-3m
10,997.941923
false
[CIF] data_Ba2BiPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98758625 _cell_length_b 3.98758625 _cell_length_c 8.78287610 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2BiPd _chemical_formula_sum 'Ba2 Bi1 Pd1' _cell_volume 139.65514363 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.99379313 1.99379313 1.95488668 1 Ba Ba1 1 1.99379313 1.99379313 6.82798942 1 Bi Bi2 1 0.00000000 0.00000000 4.39143805 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba2BiPd
P4/mmm
123
tetragonal
4/mmm
7,016.04117
false
[CIF] data_Ti2CoSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26326134 _cell_length_b 4.26326134 _cell_length_c 4.26326134 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2CoSi _chemical_formula_sum 'Ti2 Co1 Si1' _cell_volume 54.79120710 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ti Ti0 1 4.52187150 4.52187150 4.52187150 1 Ti Ti1 1 3.01458100 3.01458100 3.01458100 1 Co Co2 1 1.50729050 1.50729050 1.50729050 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CoSiTi2
F-43m
216
cubic
-43m
5,538.625733
false
[CIF] data_S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.37034242 _cell_length_b 3.37034242 _cell_length_c 3.48295808 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural S _chemical_formula_sum S2 _cell_volume 34.26312192 _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 S S0 1 -0.00000000 1.94586810 0.87073952 1 S S1 1 1.68517121 0.97293405 2.61221856 1 [/CIF]
S2
P6_3/mmc
194
hexagonal
6/mmm
3,108.017145
false
[CIF] data_Y2SnAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23015964 _cell_length_b 5.23015964 _cell_length_c 5.23015964 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2SnAu _chemical_formula_sum 'Y2 Sn1 Au1' _cell_volume 101.16489565 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 3.69828135 3.69828135 3.69828135 1 Sn Sn1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 5.54742202 5.54742203 5.54742203 1 Y Y3 1 1.84914067 1.84914067 1.84914067 1 [/CIF]
AuSnY2
Fm-3m
225
cubic
m-3m
8,100.206542
false
[CIF] data_GaAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.88249842 _cell_length_b 7.88249842 _cell_length_c 2.92902000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaAg2 _chemical_formula_sum 'Ga3 Ag6' _cell_volume 157.60890573 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 3.94124921 2.27548129 1.46451000 1 Ga Ga1 1 0.00000000 4.55096259 1.46451000 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 Ag Ag3 1 2.40835157 0.00000000 1.46451000 1 Ag Ag4 1 2.73707343 4.74075024 1.46451000 1 Ag Ag5 1 -1.20417578 2.08569364 1.46451000 1 Ag Ag6 1 -2.51826710 4.36176656 0.00000000 1 Ag Ag7 1 1.42298212 2.46467732 0.00000000 1 Ag Ag8 1 5.03653419 0.00000000 0.00000000 1 [/CIF]
Ag6Ga3
P-62m
189
hexagonal
-6m2
9,022.646919
false
[CIF] data_Li2MgSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23460534 _cell_length_b 3.23460534 _cell_length_c 6.54960606 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2MgSi _chemical_formula_sum 'Li2 Mg1 Si1' _cell_volume 68.52637801 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.45444683 1 Li Li1 1 1.61730267 1.61730267 1.46011776 1 Mg Mg2 1 0.00000000 0.00000000 3.37427229 1 Si Si3 1 1.61730267 1.61730267 5.08517827 1 [/CIF]
Li2MgSi
P4mm
99
tetragonal
4mm
1,605.922836
false
[CIF] data_Na2AgAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.98290745 _cell_length_b 5.11336358 _cell_length_c 5.60297974 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.80640448 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2AgAu _chemical_formula_sum 'Na2 Ag1 Au1' _cell_volume 85.41804457 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.02120967 0.00000000 2.66789563 1 Au Au1 1 0.98768057 2.55668179 4.35393266 1 Na Na2 1 2.53630255 0.00000000 5.32854338 1 Na Na3 1 2.47052623 2.55668179 1.65011664 1 [/CIF]
AgAuNa2
Pm
6
monoclinic
m
6,819.880574
false
[CIF] data_HfScCrHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74751285 _cell_length_b 4.74751285 _cell_length_c 4.74751285 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfScCrHg _chemical_formula_sum 'Hf1 Sc1 Cr1 Hg1' _cell_volume 75.66298119 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.03549780 5.03549780 5.03549779 1 Hf Hf1 1 3.35699853 3.35699853 3.35699853 1 Hg Hg2 1 1.67849926 1.67849926 1.67849926 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CrHfHgSc
F-43m
216
cubic
-43m
10,447.245674
false
[CIF] data_TaCuBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87767826 _cell_length_b 4.87767826 _cell_length_c 3.16405560 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 99.63740437 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCuBr2 _chemical_formula_sum 'Ta1 Cu1 Br2' _cell_volume 74.21599724 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57355935 -1.86328938 1.58202780 1 Br Br1 1 1.57355935 1.86328937 1.58202780 1 Cu Cu2 1 -0.00000000 -0.00000000 0.00000000 1 Ta Ta3 1 3.14711869 -0.00000000 0.00000000 1 [/CIF]
Br2CuTa
Cmmm
65
orthorhombic
mmm
9,046.015568
false
[CIF] data_SrMn2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61998025 _cell_length_b 4.61998025 _cell_length_c 3.04630529 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMn2Mo _chemical_formula_sum 'Sr1 Mn2 Mo1' _cell_volume 65.02100284 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.30999013 1.52315264 1 Mn Mn1 1 2.30999013 0.00000000 1.52315264 1 Mo Mo2 1 2.30999013 2.30999013 0.00000000 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mn2MoSr
P4/mmm
123
tetragonal
4/mmm
7,494.588148
false
[CIF] data_Hf2CuTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81537703 _cell_length_b 4.81537703 _cell_length_c 4.81537703 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2CuTe _chemical_formula_sum 'Hf2 Cu1 Te1' _cell_volume 78.95431897 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 5.10747862 5.10747862 5.10747863 1 Hf Hf2 1 1.70249287 1.70249287 1.70249288 1 Te Te3 1 3.40498575 3.40498575 3.40498575 1 [/CIF]
CuHf2Te
Fm-3m
225
cubic
m-3m
11,527.990468
false
[CIF] data_MgTlIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73484276 _cell_length_b 3.73484276 _cell_length_c 7.69484217 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTlIn2 _chemical_formula_sum 'Mg1 Tl1 In2' _cell_volume 107.33574157 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.86742138 1.86742138 5.94529007 1 In In1 1 1.86742138 1.86742138 1.74955210 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 0.00000000 0.00000000 3.84742108 1 [/CIF]
In2MgTl
P4/mmm
123
tetragonal
4/mmm
7,090.512388
false
[CIF] data_TiTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.90901825 _cell_length_b 5.90901825 _cell_length_c 4.49000809 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiTe _chemical_formula_sum 'Ti3 Te3' _cell_volume 135.77143817 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Te Te0 1 0.00000000 0.00000000 0.00000000 1 Te Te1 1 0.00000000 3.41157328 2.24500404 1 Te Te2 1 2.95450913 1.70578664 2.24500404 1 Ti Ti3 1 1.47725456 2.55867996 0.00000000 1 Ti Ti4 1 2.95450913 0.00000000 0.00000000 1 Ti Ti5 1 -1.47725456 2.55867996 0.00000000 1 [/CIF]
Te3Ti3
P6/mmm
191
hexagonal
6/mmm
6,438.499674
false
[CIF] data_Mg2GeBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08203159 _cell_length_b 5.08203159 _cell_length_c 5.08203159 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2GeBi _chemical_formula_sum 'Mg2 Ge1 Bi1' _cell_volume 92.81049378 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.59353900 3.59353900 3.59353900 1 Ge Ge1 1 0.00000000 0.00000000 0.00000000 1 Mg Mg2 1 1.79676950 1.79676950 1.79676950 1 Mg Mg3 1 5.39030850 5.39030850 5.39030850 1 [/CIF]
BiGeMg2
Fm-3m
225
cubic
m-3m
5,908.388781
false
[CIF] data_BaCrSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.39650730 _cell_length_b 6.39650730 _cell_length_c 6.39650730 _cell_angle_alpha 150.03314277 _cell_angle_beta 149.01492194 _cell_angle_gamma 43.64617228 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCrSi _chemical_formula_sum 'Ba1 Cr1 Si1' _cell_volume 67.11443942 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 -0.00000000 -0.00000000 11.85364544 1 Cr Cr1 1 -0.00000000 -0.00000000 3.22550372 1 Si Si2 1 -0.00000000 0.00000000 8.67328584 1 [/CIF]
BaCrSi
Imm2
44
orthorhombic
mm2
5,379.10287
false
[CIF] data_AlSi2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69741627 _cell_length_b 5.69741627 _cell_length_c 4.90446761 _cell_angle_alpha 115.37589512 _cell_angle_beta 115.37589512 _cell_angle_gamma 27.61186011 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlSi2As _chemical_formula_sum 'Al1 Si2 As1' _cell_volume 66.21307009 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.59610964 -0.00000000 2.21078667 1 As As1 1 7.78252273 0.00000000 1.13049861 1 Si Si2 1 8.74083827 0.00000000 4.27052040 1 Si Si3 1 1.13369781 0.00000000 3.39084513 1 [/CIF]
AlAsSi2
Cm
8
monoclinic
m
3,964.297112
false
[CIF] data_BaTiB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35546037 _cell_length_b 3.35546037 _cell_length_c 6.94220642 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTiB2 _chemical_formula_sum 'Ba1 Ti1 B2' _cell_volume 78.16309554 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67773018 1.67773018 6.27508767 1 B B1 1 0.00000000 0.00000000 1.49710348 1 Ba Ba2 1 1.67773018 1.67773018 3.22055204 1 Ti Ti3 1 0.00000000 0.00000000 6.36277287 1 [/CIF]
B2BaTi
P4mm
99
tetragonal
4mm
4,393.710935
false
[CIF] data_NiAg2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.79017170 _cell_length_b 5.79017170 _cell_length_c 5.79017170 _cell_angle_alpha 147.58300640 _cell_angle_beta 134.09302610 _cell_angle_gamma 57.31674590 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiAg2Pb _chemical_formula_sum 'Ni1 Ag2 Pb1' _cell_volume 74.17154926 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 2.25807275 2.87020704 1 Ag Ag1 1 1.61623096 0.00000000 2.21063868 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 -0.00000000 0.00000000 5.08084572 1 [/CIF]
Ag2NiPb
Immm
71
orthorhombic
mmm
10,782.778503
false
[CIF] data_Li4ScCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35562885 _cell_length_b 5.35562885 _cell_length_c 5.35562885 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4ScCd _chemical_formula_sum 'Li4 Sc1 Cd1' _cell_volume 108.62165616 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.89350074 1.89350074 1.89350074 1 Li Li1 1 4.72624909 2.84775387 2.84775387 1 Li Li2 1 2.84775387 2.84775387 4.72624909 1 Li Li3 1 2.84775387 4.72624909 2.84775387 1 Li Li4 1 4.72624909 4.72624909 4.72624909 1 Sc Sc5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdLi4Sc
F-43m
216
cubic
-43m
2,830.164101
false
[CIF] data_AlSn2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83574546 _cell_length_b 4.83574546 _cell_length_c 4.83574546 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlSn2B _chemical_formula_sum 'Al1 Sn2 B1' _cell_volume 79.96046327 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 3.41938841 3.41938841 3.41938841 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 1.70969421 1.70969421 1.70969421 1 Sn Sn3 1 5.12908262 5.12908262 5.12908262 1 [/CIF]
AlBSn2
Fm-3m
225
cubic
m-3m
5,715.339223
false
[CIF] data_ZnGe2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62713911 _cell_length_b 4.62713911 _cell_length_c 4.62713911 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnGe2P _chemical_formula_sum 'Zn1 Ge2 P1' _cell_volume 70.05234376 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.27188144 3.27188144 3.27188144 1 Ge Ge1 1 4.90782216 4.90782216 4.90782216 1 P P2 1 -0.00000000 -0.00000000 0.00000000 1 Zn Zn3 1 1.63594072 1.63594072 1.63594072 1 [/CIF]
Ge2PZn
F-43m
216
cubic
-43m
5,727.749852
false
[CIF] data_Ba2SrY _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.13530431 _cell_length_b 7.13530431 _cell_length_c 7.24453576 _cell_angle_alpha 99.23388006 _cell_angle_beta 99.23388006 _cell_angle_gamma 33.36668822 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2SrY _chemical_formula_sum 'Ba2 Sr1 Y1' _cell_volume 199.99256771 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.03895818 -0.00000000 1.89474185 1 Ba Ba1 1 2.41736543 0.00000000 5.24742358 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 6.22816181 -0.00000000 3.57108272 1 [/CIF]
Ba2SrY
C2/m
12
monoclinic
2/m
3,746.148047
false
[CIF] data_CaSbBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.16237699 _cell_length_b 8.16237699 _cell_length_c 8.16237699 _cell_angle_alpha 155.07105531 _cell_angle_beta 155.07105531 _cell_angle_gamma 35.54468313 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaSbBr _chemical_formula_sum 'Ca1 Sb1 Br1' _cell_volume 96.49696936 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.72436255 1 Ca Ca1 1 0.00000000 0.00000000 10.10514005 1 Sb Sb2 1 0.00000000 -0.00000000 4.71618269 1 [/CIF]
BrCaSb
I4mm
107
tetragonal
4mm
4,159.94448
false
[CIF] data_Tl2CuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.31297055 _cell_length_b 7.31297055 _cell_length_c 7.31297055 _cell_angle_alpha 31.61250100 _cell_angle_beta 31.61250100 _cell_angle_gamma 31.61250100 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2CuAu _chemical_formula_sum 'Tl2 Cu1 Au1' _cell_volume 95.41565683 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.41275304 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 -0.00000000 0.00000000 15.48709897 1 Tl Tl3 1 0.00000000 0.00000000 5.33840710 1 [/CIF]
AuCuTl2
R-3m
166
trigonal
-3m
11,647.608405
false
[CIF] data_ScAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61999924 _cell_length_b 5.61999924 _cell_length_c 8.89918197 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScAs2 _chemical_formula_sum 'Sc4 As8' _cell_volume 243.41830385 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 4.44959099 1 As As1 1 0.00000000 0.00000000 0.00000000 1 As As2 1 1.31772409 4.00549643 6.67438648 1 As As3 1 1.49227553 0.86156568 2.22479549 1 As As4 1 -1.31772409 4.00549643 6.67438648 1 As As5 1 0.00000000 1.72313136 6.67438648 1 As As6 1 2.80999962 3.14393075 2.22479549 1 As As7 1 4.12772370 0.86156568 2.22479549 1 Sc Sc8 1 2.80999962 1.62235404 4.97604203 1 Sc Sc9 1 -0.00000000 3.24470807 0.52645104 1 Sc Sc10 1 0.00000000 3.24470807 3.92313994 1 Sc Sc11 1 2.80999962 1.62235404 8.37273093 1 [/CIF]
As8Sc4
P6_3/mmc
194
hexagonal
6/mmm
5,315.48418
false
[CIF] data_Ta2CdAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.70370712 _cell_length_b 5.70370712 _cell_length_c 5.70370712 _cell_angle_alpha 145.94739860 _cell_angle_beta 133.94650478 _cell_angle_gamma 58.49921210 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2CdAg _chemical_formula_sum 'Ta2 Cd1 Ag1' _cell_volume 74.17182525 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 0.00000000 1 Cd Cd1 1 -0.00000000 0.00000000 4.97648085 1 Ta Ta2 1 1.67010619 0.00000000 2.47381271 1 Ta Ta3 1 -0.00000000 2.23106669 2.50266814 1 [/CIF]
AgCdTa2
Immm
71
orthorhombic
mmm
13,033.577932
false
[CIF] data_VTe2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.42381350 _cell_length_b 8.42381350 _cell_length_c 8.42381350 _cell_angle_alpha 22.51935050 _cell_angle_beta 22.51935050 _cell_angle_gamma 22.51935050 _symmetry_Int_Tables_number 1 _chemical_formula_structural VTe2Mo _chemical_formula_sum 'V1 Te2 Mo1' _cell_volume 76.91244815 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.31037485 1 Te Te1 1 -0.00000000 0.00000000 18.42985727 1 Te Te2 1 -0.00000000 0.00000000 6.19089244 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MoTe2V
R-3m
166
trigonal
-3m
8,681.367783
false
[CIF] data_In2AgP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94362880 _cell_length_b 3.94362880 _cell_length_c 7.17969875 _cell_angle_alpha 105.16266222 _cell_angle_beta 105.16266222 _cell_angle_gamma 59.05324530 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2AgP _chemical_formula_sum 'In2 Ag1 P1' _cell_volume 91.33574814 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.35234780 0.00000000 3.42381975 1 In In1 1 4.58889848 -0.00000000 1.55055011 1 In In2 1 0.11579712 0.00000000 5.29708939 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgIn2P
C2/m
12
monoclinic
2/m
6,699.151904
false
[CIF] data_Cr2GeW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09699223 _cell_length_b 3.09699223 _cell_length_c 5.72615931 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2GeW _chemical_formula_sum 'Cr2 Ge1 W1' _cell_volume 54.92166036 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.11935148 1 Cr Cr1 1 1.54849612 1.54849612 1.39198043 1 Ge Ge2 1 0.00000000 0.00000000 2.78878566 1 W W3 1 1.54849612 1.54849612 4.28912140 1 [/CIF]
Cr2GeW
P4mm
99
tetragonal
4mm
10,898.763195
false
[CIF] data_HfAsIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61558931 _cell_length_b 4.61558931 _cell_length_c 3.19382588 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 103.15932738 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfAsIr2 _chemical_formula_sum 'Hf1 As1 Ir2' _cell_volume 66.25351161 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 2.86824675 0.00000000 0.00000000 1 Ir Ir2 1 1.43412338 -1.80809467 1.59691294 1 Ir Ir3 1 1.43412338 1.80809467 1.59691294 1 [/CIF]
AsHfIr2
Cmmm
65
orthorhombic
mmm
15,986.587149
false
[CIF] data_NbCuRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60633956 _cell_length_b 4.60633956 _cell_length_c 4.82316410 _cell_angle_alpha 99.83102622 _cell_angle_beta 99.83102622 _cell_angle_gamma 35.33220808 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCuRu2 _chemical_formula_sum 'Nb1 Cu1 Ru2' _cell_volume 58.22671653 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 3.95696984 -0.00000000 2.37254776 1 Ru Ru2 1 6.36224691 -0.00000000 1.09409233 1 Ru Ru3 1 1.55169278 -0.00000000 3.65100318 1 [/CIF]
CuNbRu2
C2/m
12
monoclinic
2/m
10,226.519568
false
[CIF] data_Hf2MnV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04588834 _cell_length_b 3.04588834 _cell_length_c 7.21144609 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2MnV _chemical_formula_sum 'Hf2 Mn1 V1' _cell_volume 66.90372798 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 1.52294417 1.52294417 7.02806608 1 Hf Hf1 1 0.00000000 0.00000000 2.08264407 1 Mn Mn2 1 1.52294417 1.52294417 3.84638350 1 V V3 1 0.00000000 0.00000000 5.07152158 1 [/CIF]
Hf2MnV
P4mm
99
tetragonal
4mm
11,488.094713
false
[CIF] data_KGa2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.80088750 _cell_length_b 3.80088750 _cell_length_c 7.03744588 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KGa2Se _chemical_formula_sum 'K1 Ga2 Se1' _cell_volume 101.66819162 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.03655418 1 Ga Ga1 1 1.90044375 1.90044375 1.21808336 1 K K2 1 0.00000000 0.00000000 3.60975983 1 Se Se3 1 1.90044375 1.90044375 5.69177145 1 [/CIF]
Ga2KSe
P4mm
99
tetragonal
4mm
4,205.798718
false
[CIF] data_CuPtAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86350441 _cell_length_b 4.86350441 _cell_length_c 4.86350441 _cell_angle_alpha 130.90081258 _cell_angle_beta 130.90081258 _cell_angle_gamma 71.97071447 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuPtAu2 _chemical_formula_sum 'Cu1 Pt1 Au2' _cell_volume 64.27586907 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 2.02069234 1.96769409 1 Au Au1 1 2.02069234 -0.00000000 1.96769409 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 0.00000000 0.00000000 3.93538817 1 [/CIF]
Au2CuPt
I4/mmm
139
tetragonal
4/mmm
16,858.68429
false
[CIF] data_Li2TlSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15039484 _cell_length_b 4.56796923 _cell_length_c 4.95882079 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2TlSi _chemical_formula_sum 'Li2 Tl1 Si1' _cell_volume 71.36192728 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.20899149 1 Li Li1 1 0.00000000 2.28398462 3.43462324 1 Si Si2 1 1.57519742 0.00000000 2.80879561 1 Tl Tl3 1 1.57519742 2.28398462 0.98582086 1 [/CIF]
Li2SiTl
Pmm2
25
orthorhombic
mm2
5,732.400222
false
[CIF] data_SrHgAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22406527 _cell_length_b 5.22406527 _cell_length_c 5.22406527 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrHgAu _chemical_formula_sum 'Sr1 Hg1 Au1' _cell_volume 100.81166468 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.54095797 5.54095797 5.54095797 1 Hg Hg1 1 1.84698599 1.84698599 1.84698599 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuHgSr
F-43m
216
cubic
-43m
7,991.68082
false
[CIF] data_TlRu2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57014339 _cell_length_b 4.57014339 _cell_length_c 4.57014339 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlRu2Se _chemical_formula_sum 'Tl1 Ru2 Se1' _cell_volume 67.49544743 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.84736907 4.84736907 4.84736907 1 Ru Ru1 1 1.61578969 1.61578969 1.61578969 1 Se Se2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 3.23157938 3.23157938 3.23157938 1 [/CIF]
Ru2SeTl
Fm-3m
225
cubic
m-3m
11,943.975727
false
[CIF] data_HfAlGaNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45928155 _cell_length_b 4.45928155 _cell_length_c 4.45928155 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfAlGaNi _chemical_formula_sum 'Hf1 Al1 Ga1 Ni1' _cell_volume 62.70175286 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.15318822 3.15318822 3.15318822 1 Hf Hf2 1 1.57659411 1.57659411 1.57659411 1 Ni Ni3 1 4.72978233 4.72978233 4.72978233 1 [/CIF]
AlGaHfNi
F-43m
216
cubic
-43m
8,842.399784
false
[CIF] data_TiGaOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.83732077 _cell_length_b 6.59043760 _cell_length_c 2.82441527 _cell_angle_alpha 82.80574724 _cell_angle_beta 72.99972701 _cell_angle_gamma 24.19452575 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiGaOs _chemical_formula_sum 'Ti1 Ga1 Os1' _cell_volume 46.51850843 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.52679959 2.37617437 0.01943012 1 Os Os1 1 1.52679959 2.37617437 8.60828836 1 Ti Ti2 1 1.52679959 2.37617437 4.19456692 1 [/CIF]
GaOsTi
Fmm2
42
orthorhombic
mm2
10,988.037939
false
[CIF] data_Y2CdPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.90936772 _cell_length_b 9.90936772 _cell_length_c 9.90936772 _cell_angle_alpha 21.76984712 _cell_angle_beta 21.76984712 _cell_angle_gamma 21.76984712 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2CdPb _chemical_formula_sum 'Y2 Cd1 Pb1' _cell_volume 117.30726191 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 0.00000000 0.00000000 14.50638600 1 Y Y2 1 -0.00000000 0.00000000 21.70363832 1 Y Y3 1 0.00000000 0.00000000 7.30913369 1 [/CIF]
CdPbY2
R-3m
166
trigonal
-3m
7,041.250582
false
[CIF] data_KSeBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03155957 _cell_length_b 4.96519893 _cell_length_c 5.55085506 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSeBr2 _chemical_formula_sum 'K1 Se1 Br2' _cell_volume 111.11421487 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 2.01577978 2.48259947 0.00000000 1 Br Br1 1 0.00000000 2.48259947 2.77542753 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Se Se3 1 2.01577978 0.00000000 2.77542753 1 [/CIF]
Br2KSe
Pmmm
47
orthorhombic
mmm
4,152.554621
false
[CIF] data_Sr2MnGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53901325 _cell_length_b 5.53901325 _cell_length_c 5.53901325 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2MnGa _chemical_formula_sum 'Sr2 Mn1 Ga1' _cell_volume 120.16616859 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.91667383 3.91667383 3.91667383 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 1.95833692 1.95833692 1.95833692 1 Sr Sr3 1 5.87501075 5.87501075 5.87501075 1 [/CIF]
GaMnSr2
Fm-3m
225
cubic
m-3m
4,144.239657
false
[CIF] data_LiTiVMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36642382 _cell_length_b 4.36642382 _cell_length_c 4.36642382 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTiVMo _chemical_formula_sum 'Li1 Ti1 V1 Mo1' _cell_volume 58.86574755 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 3.08752789 3.08752789 3.08752789 1 Ti Ti2 1 1.54376395 1.54376395 1.54376394 1 V V3 1 4.63129183 4.63129183 4.63129183 1 [/CIF]
LiMoTiV
F-43m
216
cubic
-43m
5,690.006817
false
[CIF] data_TbHo2Tl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40906181 _cell_length_b 5.40906181 _cell_length_c 5.40906181 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbHo2Tl _chemical_formula_sum 'Tb1 Ho2 Tl1' _cell_volume 111.90534613 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.73717643 5.73717643 5.73717643 1 Ho Ho1 1 1.91239214 1.91239214 1.91239214 1 Tb Tb2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 3.82478429 3.82478429 3.82478429 1 [/CIF]
Ho2TbTl
Fm-3m
225
cubic
m-3m
10,285.788173
false
[CIF] data_LiBiMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60771087 _cell_length_b 4.60771087 _cell_length_c 4.60771087 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiBiMo2 _chemical_formula_sum 'Li1 Bi1 Mo2' _cell_volume 69.17364494 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.25814360 3.25814360 3.25814360 1 Li Li1 1 -0.00000000 -0.00000000 0.00000000 1 Mo Mo2 1 4.88721540 4.88721540 4.88721540 1 Mo Mo3 1 1.62907180 1.62907180 1.62907180 1 [/CIF]
BiLiMo2
Fm-3m
225
cubic
m-3m
9,790.384449
false
[CIF] data_BeZnIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02042467 _cell_length_b 3.02042467 _cell_length_c 8.28829534 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeZnIn2 _chemical_formula_sum 'Be1 Zn1 In2' _cell_volume 75.61382990 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.81870972 1 In In1 1 1.51021234 1.51021234 7.84409028 1 In In2 1 0.00000000 0.00000000 2.39898277 1 Zn Zn3 1 1.51021234 1.51021234 4.65895557 1 [/CIF]
BeIn2Zn
P4mm
99
tetragonal
4mm
6,677.23413
false
[CIF] data_La2TlCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12320010 _cell_length_b 5.12320010 _cell_length_c 4.11102669 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2TlCo _chemical_formula_sum 'La2 Tl1 Co1' _cell_volume 107.90285449 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 2.56160005 2.05551335 1 La La2 1 2.56160005 0.00000000 2.05551335 1 Tl Tl3 1 2.56160005 2.56160005 0.00000000 1 [/CIF]
CoLa2Tl
P4/mmm
123
tetragonal
4/mmm
8,327.520621
false
[CIF] data_CoSiIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83561437 _cell_length_b 2.83561437 _cell_length_c 6.60515129 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoSiIr2 _chemical_formula_sum 'Co1 Si1 Ir2' _cell_volume 53.11009847 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.30257565 1 Ir Ir1 1 1.41780719 1.41780719 5.11389221 1 Ir Ir2 1 1.41780719 1.41780719 1.49125908 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CoIr2Si
P4/mmm
123
tetragonal
4/mmm
14,740.428669
false
[CIF] data_Sr2AsSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33036303 _cell_length_b 4.33036303 _cell_length_c 8.20249653 _cell_angle_alpha 105.59455951 _cell_angle_beta 105.59455951 _cell_angle_gamma 60.80117838 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2AsSe _chemical_formula_sum 'Sr2 As1 Se1' _cell_volume 127.58040586 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Se Se1 1 2.45668951 0.00000000 3.89695062 1 Sr Sr2 1 -0.03731009 -0.00000000 5.75683460 1 Sr Sr3 1 4.95068911 0.00000000 2.03706664 1 [/CIF]
AsSeSr2
C2/m
12
monoclinic
2/m
4,283.724219
false
[CIF] data_LiMgInRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53095505 _cell_length_b 4.53095505 _cell_length_c 4.53095505 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMgInRu _chemical_formula_sum 'Li1 Mg1 In1 Ru1' _cell_volume 65.77400135 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.60193452 1.60193452 1.60193452 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Mg Mg2 1 3.20386904 3.20386904 3.20386904 1 Ru Ru3 1 4.80580356 4.80580356 4.80580356 1 [/CIF]
InLiMgRu
F-43m
216
cubic
-43m
6,239.177384
false
[CIF] data_Hf2VW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20492923 _cell_length_b 3.20492923 _cell_length_c 7.15646256 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2VW _chemical_formula_sum 'Hf2 V1 W1' _cell_volume 73.50811594 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.97935063 1 Hf Hf1 1 1.60246462 1.60246462 1.96970697 1 V V2 1 0.00000000 0.00000000 3.82245702 1 W W3 1 1.60246462 1.60246462 5.11964178 1 [/CIF]
Hf2VW
P4mm
99
tetragonal
4mm
13,367.817639
false
[CIF] data_Nb2TlRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86071502 _cell_length_b 4.86071502 _cell_length_c 3.20108840 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 106.37462723 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2TlRe _chemical_formula_sum 'Nb2 Tl1 Re1' _cell_volume 72.56301408 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.45627236 -1.94574110 1.60054420 1 Nb Nb1 1 1.45627236 1.94574110 1.60054420 1 Re Re2 1 -0.00000000 -0.00000000 0.00000000 1 Tl Tl3 1 2.91254472 -0.00000000 0.00000000 1 [/CIF]
Nb2ReTl
Cmmm
65
orthorhombic
mmm
13,190.463645
false
[CIF] data_ReAgPdPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75534995 _cell_length_b 4.75534995 _cell_length_c 4.75534995 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReAgPdPb _chemical_formula_sum 'Re1 Ag1 Pd1 Pb1' _cell_volume 76.03830917 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 3.36254020 3.36254020 3.36254020 1 Pb Pb1 1 5.04381030 5.04381030 5.04381030 1 Pd Pd2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 1.68127010 1.68127010 1.68127010 1 [/CIF]
AgPbPdRe
F-43m
216
cubic
-43m
13,270.963429
false
[CIF] data_NaCoB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17498096 _cell_length_b 4.17498096 _cell_length_c 4.17498096 _cell_angle_alpha 128.49868018 _cell_angle_beta 107.33306339 _cell_angle_gamma 94.56428702 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCoB2 _chemical_formula_sum 'Na1 Co1 B2' _cell_volume 50.83045827 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.47360878 0.82154108 1 B B1 1 1.81384399 -0.00000000 2.01071873 1 Co Co2 1 -0.00000000 -0.00000000 2.83225981 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2CoNa
Immm
71
orthorhombic
mmm
3,382.626563
false
[CIF] data_HfRe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78612748 _cell_length_b 2.78612748 _cell_length_c 8.98020800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.49651426 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfRe3 _chemical_formula_sum 'Hf1 Re3' _cell_volume 64.85995949 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 0.00000000 0.00000000 4.49010400 1 Re Re2 1 1.56811633 0.00000000 6.65609829 1 Re Re3 1 1.56811633 0.00000000 2.32410971 1 [/CIF]
HfRe3
Cmmm
65
orthorhombic
mmm
18,871.451995
false
[CIF] data_TaNb2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.99219752 _cell_length_b 4.52949370 _cell_length_c 5.51275147 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNb2Br _chemical_formula_sum 'Ta1 Nb2 Br1' _cell_volume 74.71509144 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 1.49609876 2.26474685 1.44384231 1 Nb Nb2 1 1.49609876 2.26474685 4.06890916 1 Ta Ta3 1 0.00000000 0.00000000 2.75637574 1 [/CIF]
BrNb2Ta
Pmmm
47
orthorhombic
mmm
9,927.098663
false
[CIF] data_BeNiPbAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48673169 _cell_length_b 4.48673169 _cell_length_c 4.48673169 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeNiPbAu _chemical_formula_sum 'Be1 Ni1 Pb1 Au1' _cell_volume 63.86682082 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 4.75889760 4.75889760 4.75889760 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 3.17259840 3.17259840 3.17259840 1 Pb Pb3 1 1.58629920 1.58629920 1.58629920 1 [/CIF]
AuBeNiPb
F-43m
216
cubic
-43m
12,268.688673
false
[CIF] data_AlReMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10660183 _cell_length_b 3.10660183 _cell_length_c 6.34145376 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlReMo2 _chemical_formula_sum 'Al1 Re1 Mo2' _cell_volume 61.20121126 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.71778046 1 Mo Mo1 1 1.55330091 1.55330091 6.33541004 1 Mo Mo2 1 0.00000000 0.00000000 1.63715346 1 Re Re3 1 1.55330091 1.55330091 3.16329045 1 [/CIF]
AlMo2Re
P4mm
99
tetragonal
4mm
10,991.588904
false
[CIF] data_La2NbB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32960932 _cell_length_b 3.32960932 _cell_length_c 8.56451331 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2NbB _chemical_formula_sum 'La2 Nb1 B1' _cell_volume 94.94874870 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.65195443 1 La La1 1 1.66480466 1.66480466 7.79155322 1 La La2 1 0.00000000 0.00000000 2.83440170 1 Nb Nb3 1 1.66480466 1.66480466 5.13337392 1 [/CIF]
BLa2Nb
P4mm
99
tetragonal
4mm
6,672.470033
false
[CIF] data_CdIn2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27916802 _cell_length_b 4.42108146 _cell_length_c 4.95912400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdIn2P _chemical_formula_sum 'Cd1 In2 P1' _cell_volume 93.81943732 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 2.13958401 2.21054073 0.00000000 1 In In1 1 2.13958401 0.00000000 2.47956200 1 In In2 1 0.00000000 2.21054073 2.47956200 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdIn2P
Pmmm
47
orthorhombic
mmm
6,602.209155
false
[CIF] data_YTi2Be _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15494975 _cell_length_b 4.22665206 _cell_length_c 5.92022264 _cell_angle_alpha 90.00000000 _cell_angle_beta 105.35418752 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTi2Be _chemical_formula_sum 'Y1 Ti2 Be1' _cell_volume 76.12766280 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.96210404 0.00000000 4.44508434 1 Ti Ti1 1 2.59169803 2.11332603 0.05941661 1 Ti Ti2 1 1.00348863 0.00000000 0.94428537 1 Y Y3 1 -0.59877191 2.11332603 3.11458569 1 [/CIF]
BeTi2Y
Pm
6
monoclinic
m
4,224.046196
false
[CIF] data_In3Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92440461 _cell_length_b 4.92440461 _cell_length_c 4.92440461 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In3Te _chemical_formula_sum 'In3 Te1' _cell_volume 119.41563369 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 0.00000000 2.46220231 2.46220231 1 In In1 1 2.46220231 0.00000000 2.46220231 1 In In2 1 2.46220231 2.46220231 0.00000000 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
In3Te
Pm-3m
221
cubic
m-3m
6,564.166553
false
[CIF] data_ZrRePd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36191437 _cell_length_b 3.36191437 _cell_length_c 5.95364654 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrRePd2 _chemical_formula_sum 'Zr1 Re1 Pd2' _cell_volume 67.29090088 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 1.68095719 1.68095719 0.03353838 1 Pd Pd1 1 0.00000000 0.00000000 1.57167850 1 Re Re2 1 1.68095719 1.68095719 2.83384174 1 Zr Zr3 1 0.00000000 0.00000000 4.49141118 1 [/CIF]
Pd2ReZr
P4mm
99
tetragonal
4mm
12,098.428437
false
[CIF] data_Sr2ThNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78148162 _cell_length_b 5.78148162 _cell_length_c 5.78148162 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2ThNi _chemical_formula_sum 'Sr2 Th1 Ni1' _cell_volume 136.64773910 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sr Sr1 1 6.13218729 6.13218729 6.13218729 1 Sr Sr2 1 2.04406243 2.04406243 2.04406243 1 Th Th3 1 4.08812486 4.08812486 4.08812486 1 [/CIF]
NiSr2Th
Fm-3m
225
cubic
m-3m
5,662.470659
false
[CIF] data_NdTm2Tl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41459050 _cell_length_b 5.41459050 _cell_length_c 5.41459050 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdTm2Tl _chemical_formula_sum 'Nd1 Tm2 Tl1' _cell_volume 112.24883805 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 0.00000000 1 Tl Tl1 1 3.82869366 3.82869366 3.82869366 1 Tm Tm2 1 1.91434683 1.91434683 1.91434683 1 Tm Tm3 1 5.74304049 5.74304049 5.74304049 1 [/CIF]
NdTlTm2
Fm-3m
225
cubic
m-3m
10,155.558497
false
[CIF] data_Na2RhPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06908754 _cell_length_b 4.06908754 _cell_length_c 5.13799080 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2RhPb _chemical_formula_sum 'Na2 Rh1 Pb1' _cell_volume 85.07214604 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.03454377 2.56899540 1 Na Na1 1 2.03454377 0.00000000 2.56899540 1 Pb Pb2 1 2.03454377 2.03454377 0.00000000 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Na2PbRh
P4/mmm
123
tetragonal
4/mmm
6,950.490202
false
[CIF] data_AlInSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22658540 _cell_length_b 3.22658540 _cell_length_c 9.80197785 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlInSb2 _chemical_formula_sum 'Al1 In1 Sb2' _cell_volume 102.04695387 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.90096246 1 In In1 1 1.61329270 1.61329270 7.09153905 1 Sb Sb2 1 0.00000000 0.00000000 9.63707379 1 Sb Sb3 1 1.61329270 1.61329270 2.87536923 1 [/CIF]
AlInSb2
P4mm
99
tetragonal
4mm
6,270.03671
false
[CIF] data_SrBi2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.49742158 _cell_length_b 6.49742158 _cell_length_c 6.49742158 _cell_angle_alpha 144.61712471 _cell_angle_beta 132.97992308 _cell_angle_gamma 60.19544530 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrBi2P _chemical_formula_sum 'Sr1 Bi2 P1' _cell_volume 115.07402216 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.59188472 3.27709327 1 Bi Bi1 1 1.97450593 -0.00000000 2.34428975 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 -0.00000000 0.00000000 5.62138302 1 [/CIF]
Bi2PSr
Immm
71
orthorhombic
mmm
7,742.724763
false
[CIF] data_YBeAgPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68733129 _cell_length_b 4.68733129 _cell_length_c 4.68733129 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YBeAgPt _chemical_formula_sum 'Y1 Be1 Ag1 Pt1' _cell_volume 72.82189071 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.65722187 1.65722187 1.65722187 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 3.31444374 3.31444374 3.31444374 1 Y Y3 1 4.97166561 4.97166561 4.97166561 1 [/CIF]
AgBePtY
F-43m
216
cubic
-43m
9,140.942022
false
[CIF] data_HgGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.98657728 _cell_length_b 2.98657728 _cell_length_c 10.80495268 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgGe _chemical_formula_sum 'Hg2 Ge2' _cell_volume 96.37632972 _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 Ge Ge0 1 1.49328864 0.00000000 1.01411677 1 Ge Ge1 1 0.00000000 1.49328864 9.79083591 1 Hg Hg2 1 1.49328864 0.00000000 6.91113612 1 Hg Hg3 1 0.00000000 1.49328864 3.89381656 1 [/CIF]
Ge2Hg2
P4/nmm
129
tetragonal
4/mmm
9,415.363513
false
[CIF] data_GaRePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.61473055 _cell_length_b 6.61473055 _cell_length_c 6.61473055 _cell_angle_alpha 151.54323637 _cell_angle_beta 151.54323637 _cell_angle_gamma 40.68070726 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaRePb _chemical_formula_sum 'Ga1 Re1 Pb1' _cell_volume 65.57744050 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.65514783 1 Pb Pb1 1 0.00000000 -0.00000000 3.80253930 1 Re Re2 1 0.00000000 0.00000000 7.94684237 1 [/CIF]
GaPbRe
I4mm
107
tetragonal
4mm
11,727.286885
false
[CIF] data_YPtRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20034654 _cell_length_b 5.20034654 _cell_length_c 5.20034654 _cell_angle_alpha 140.35475205 _cell_angle_beta 140.35475205 _cell_angle_gamma 57.31505242 _symmetry_Int_Tables_number 1 _chemical_formula_structural YPtRh _chemical_formula_sum 'Y1 Pt1 Rh1' _cell_volume 56.76551843 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 0.00000000 0.00000000 0.02585930 1 Rh Rh1 1 -0.00000000 0.00000000 6.06230029 1 Y Y2 1 0.00000000 0.00000000 3.03846861 1 [/CIF]
PtRhY
I4mm
107
tetragonal
4mm
11,317.695339
false
[CIF] data_SrCrMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72211475 _cell_length_b 5.72211475 _cell_length_c 2.65700805 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 123.80554494 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCrMo2 _chemical_formula_sum 'Sr1 Cr1 Mo2' _cell_volume 72.28875797 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 1.34746989 2.52388078 1.32850402 1 Mo Mo2 1 1.34746989 -2.52388078 1.32850402 1 Sr Sr3 1 2.69493978 -0.00000000 0.00000000 1 [/CIF]
CrMo2Sr
Cmmm
65
orthorhombic
mmm
7,615.688269
false
[CIF] data_InWCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31234822 _cell_length_b 3.31234822 _cell_length_c 10.02435447 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 126.06873822 _symmetry_Int_Tables_number 1 _chemical_formula_structural InWCl2 _chemical_formula_sum 'In1 W1 Cl2' _cell_volume 88.90107413 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.50200399 0.00000000 6.96308683 1 Cl Cl1 1 1.50200399 0.00000000 3.06126764 1 In In2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 0.00000000 0.00000000 5.01217723 1 [/CIF]
Cl2InW
Cmmm
65
orthorhombic
mmm
6,902.902643
false
[CIF] data_SrIr2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90029554 _cell_length_b 2.90029554 _cell_length_c 8.41711279 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrIr2Os _chemical_formula_sum 'Sr1 Ir2 Os1' _cell_volume 70.80234745 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 1.45014777 1.45014777 2.49416307 1 Ir Ir1 1 1.45014777 1.45014777 5.92294972 1 Os Os2 1 0.00000000 0.00000000 4.20855639 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ir2OsSr
P4/mmm
123
tetragonal
4/mmm
15,532.714204
false
[CIF] data_ScCr4Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95661338 _cell_length_b 4.95661338 _cell_length_c 4.95661338 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCr4Cl _chemical_formula_sum 'Sc1 Cr4 Cl1' _cell_volume 86.10733256 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cr Cr1 1 4.38633221 4.38633221 2.62337765 1 Cr Cr2 1 4.38633221 2.62337765 4.38633221 1 Cr Cr3 1 2.62337765 4.38633221 4.38633221 1 Cr Cr4 1 2.62337765 2.62337765 2.62337765 1 Sc Sc5 1 5.25728240 5.25728240 5.25728240 1 [/CIF]
ClCr4Sc
F-43m
216
cubic
-43m
5,561.528233
false
[CIF] data_TiAl3Ni2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04556799 _cell_length_b 5.04556799 _cell_length_c 3.89497166 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAl3Ni2 _chemical_formula_sum 'Ti1 Al3 Ni2' _cell_volume 85.87268850 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -1.26139200 2.18479503 1.94748583 1 Al Al1 1 1.26139200 2.18479503 1.94748583 1 Al Al2 1 2.52278400 0.00000000 1.94748583 1 Ni Ni3 1 2.52278400 1.45653002 0.00000000 1 Ni Ni4 1 0.00000000 2.91306004 0.00000000 1 Ti Ti5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al3Ni2Ti
P6/mmm
191
hexagonal
6/mmm
4,760.796247
false
[CIF] data_NaNb2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58675953 _cell_length_b 4.58675953 _cell_length_c 4.58675953 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaNb2Os _chemical_formula_sum 'Na1 Nb2 Os1' _cell_volume 68.23432806 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62166439 1.62166439 1.62166439 1 Nb Nb2 1 4.86499316 4.86499316 4.86499316 1 Os Os3 1 3.24332877 3.24332877 3.24332877 1 [/CIF]
NaNb2Os
Fm-3m
225
cubic
m-3m
9,710.788141
false
[CIF] data_SrTcRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61543574 _cell_length_b 4.61543574 _cell_length_c 4.61543574 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTcRu2 _chemical_formula_sum 'Sr1 Tc1 Ru2' _cell_volume 69.52213944 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.26360591 3.26360591 3.26360591 1 Ru Ru1 1 4.89540887 4.89540887 4.89540887 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 1.63180295 1.63180295 1.63180295 1 [/CIF]
Ru2SrTc
F-43m
216
cubic
-43m
9,283.307651
false
[CIF] data_Ho2HfTh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46294294 _cell_length_b 5.46294294 _cell_length_c 5.46294294 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ho2HfTh _chemical_formula_sum 'Ho2 Hf1 Th1' _cell_volume 115.28292736 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ho Ho1 1 5.79432600 5.79432600 5.79432600 1 Ho Ho2 1 1.93144200 1.93144200 1.93144200 1 Th Th3 1 3.86288400 3.86288400 3.86288400 1 [/CIF]
HfHo2Th
Fm-3m
225
cubic
m-3m
10,664.583117
false
[CIF] data_CuW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78431611 _cell_length_b 4.43055138 _cell_length_c 5.33055468 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuW _chemical_formula_sum 'Cu4 W4' _cell_volume 112.99261161 _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 Cu Cu0 1 0.39209207 1.10763784 0.65271267 1 Cu Cu1 1 2.00006598 3.32291353 3.31799001 1 Cu Cu2 1 2.78425013 1.10763784 2.01256467 1 Cu Cu3 1 4.39222404 3.32291353 4.67784201 1 W W4 1 0.49401016 1.10763784 3.30439379 1 W W5 1 1.89814790 3.32291353 0.63911645 1 W W6 1 2.88616821 1.10763784 4.69143823 1 W W7 1 4.29030595 3.32291353 2.02616089 1 [/CIF]
Cu4W4
Pnma
62
orthorhombic
mmm
14,542.335527
false
[CIF] data_YBe2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43021551 _cell_length_b 4.43021551 _cell_length_c 4.43021551 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YBe2Os _chemical_formula_sum 'Y1 Be2 Os1' _cell_volume 61.48363874 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.56631772 1.56631772 1.56631772 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 4.69895315 4.69895315 4.69895315 1 Y Y3 1 3.13263543 3.13263543 3.13263543 1 [/CIF]
Be2OsY
F-43m
216
cubic
-43m
8,025.649661
false
[CIF] data_Ti2MnCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43408870 _cell_length_b 4.43408870 _cell_length_c 2.95982835 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 102.14540900 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2MnCl _chemical_formula_sum 'Ti2 Mn1 Cl1' _cell_volume 56.89104806 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 2.78608753 -0.00000000 0.00000000 1 Ti Ti2 1 1.39304377 -1.72473613 1.47991417 1 Ti Ti3 1 1.39304377 1.72473613 1.47991417 1 [/CIF]
ClMnTi2
Cmmm
65
orthorhombic
mmm
5,432.628138
false