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_CdNiB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86527157 _cell_length_b 2.86527157 _cell_length_c 5.46593797 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdNiB2 _chemical_formula_sum 'Cd1 Ni1 B2' _cell_volume 44.87415462 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.43263579 1.43263579 0.84891499 1 B B1 1 1.43263579 1.43263579 4.61702298 1 Cd Cd2 1 0.00000000 0.00000000 2.73296898 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2CdNi
P4/mmm
123
tetragonal
4/mmm
7,131.715774
false
[CIF] data_NiRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.98355092 _cell_length_b 5.98355092 _cell_length_c 3.75551375 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 143.81758536 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiRh2 _chemical_formula_sum 'Ni2 Rh4' _cell_volume 79.37847778 _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 Ni Ni0 1 1.85807541 -4.76675692 0.93887844 1 Ni Ni1 1 1.85807541 4.76675692 2.81663531 1 Rh Rh2 1 1.85807541 -0.93582223 0.93887844 1 Rh Rh3 1 1.85807541 0.93582223 2.81663531 1 Rh Rh4 1 1.85807541 2.86205153 0.93887844 1 Rh Rh5 1 1.85807541 -2.86205153 2.81663531 1 [/CIF]
Ni2Rh4
Cmcm
63
orthorhombic
mmm
11,066.472973
false
[CIF] data_Y4ReRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.87492454 _cell_length_b 5.87492454 _cell_length_c 5.87492454 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y4ReRh _chemical_formula_sum 'Y4 Re1 Rh1' _cell_volume 143.38109077 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.23129847 6.23129847 6.23129847 1 Rh Rh1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 5.19160989 5.19160989 3.11678807 1 Y Y3 1 5.19160989 3.11678807 5.19160989 1 Y Y4 1 3.11678807 5.19160989 5.19160989 1 Y Y5 1 3.11678807 3.11678807 3.11678807 1 [/CIF]
ReRhY4
F-43m
216
cubic
-43m
7,466.87826
false
[CIF] data_CsLiSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.67514710 _cell_length_b 5.67514710 _cell_length_c 5.67514710 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsLiSn2 _chemical_formula_sum 'Cs1 Li1 Sn2' _cell_volume 129.24577987 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cs Cs0 1 4.01293500 4.01293500 4.01293500 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 2.00646750 2.00646750 2.00646750 1 Sn Sn3 1 6.01940250 6.01940250 6.01940250 1 [/CIF]
CsLiSn2
Fm-3m
225
cubic
m-3m
4,847.088102
false
[CIF] data_La2ThS5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.16556900 _cell_length_b 8.36708900 _cell_length_c 7.64125400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2ThS5 _chemical_formula_sum 'La8 Th4 S20' _cell_volume 777.80629015 _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 La La0 1 8.24010485 4.18975288 3.98280497 1 La La1 1 2.15732035 8.36088062 7.47907603 1 La La2 1 3.92546415 0.00620838 3.65844903 1 La La3 1 10.00824865 4.17733612 0.16217797 1 La La4 1 3.92546415 4.17733612 3.65844903 1 La La5 1 10.00824865 0.00620838 0.16217797 1 La La6 1 8.24010485 8.36088062 3.98280497 1 La La7 1 2.15732035 4.18975288 7.47907603 1 Th Th8 1 6.19307755 6.27531675 0.56452056 1 Th Th9 1 0.11029305 6.27531675 3.25610644 1 Th Th10 1 5.97249145 2.09177225 7.07673344 1 Th Th11 1 12.05527595 2.09177225 4.38514756 1 S S12 1 4.89364879 8.02128558 6.40673300 1 S S13 1 10.97643329 4.52934792 5.05514800 1 S S14 1 7.27192021 3.83774108 1.23452100 1 S S15 1 1.18913571 0.34580342 2.58610600 1 S S16 1 7.27192021 0.34580342 1.23452100 1 S S17 1 1.18913571 3.83774108 2.58610600 1 S S18 1 4.89364879 4.52934792 6.40673300 1 S S19 1 10.97643329 8.02128558 5.05514800 1 S S20 1 8.36671193 6.27531675 6.35895988 1 S S21 1 2.28392743 6.27531675 5.10292112 1 S S22 1 3.79885707 2.09177225 1.28229412 1 S S23 1 9.88164157 2.09177225 2.53833288 1 S S24 1 6.10947576 6.27531675 3.47636558 1 S S25 1 0.02669126 6.27531675 0.34426142 1 S S26 1 6.05609324 2.09177225 4.16488842 1 S S27 1 12.13887774 2.09177225 7.29699258 1 S S28 1 3.45848878 6.27531675 1.50590013 1 S S29 1 9.54127328 6.27531675 2.31472687 1 S S30 1 8.70708022 2.09177225 6.13535387 1 S S31 1 2.62429572 2.09177225 5.32652713 1 [/CIF]
La8S20Th4
Pnma
62
orthorhombic
mmm
5,723.01933
false
[CIF] data_ZrSb2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65865710 _cell_length_b 8.60949459 _cell_length_c 8.60949459 _cell_angle_alpha 25.09986100 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSb2Cl _chemical_formula_sum 'Zr1 Sb2 Cl1' _cell_volume 115.03893345 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.02509699 1 Sb Sb1 1 1.82932855 0.00000000 15.03315475 1 Sb Sb2 1 0.00000000 -0.00000000 4.86139754 1 Zr Zr3 1 1.82932855 -0.00000000 11.89403837 1 [/CIF]
ClSb2Zr
Amm2
38
orthorhombic
mm2
5,343.659812
false
[CIF] data_SbAsW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.58918658 _cell_length_b 6.58918658 _cell_length_c 6.58918658 _cell_angle_alpha 152.17106083 _cell_angle_beta 152.17106083 _cell_angle_gamma 39.76354930 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbAsW _chemical_formula_sum 'Sb1 As1 W1' _cell_volume 62.22997705 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.50188903 1 Sb Sb1 1 -0.00000000 0.00000000 3.81464754 1 W W2 1 0.00000000 0.00000000 8.07635759 1 [/CIF]
AsSbW
I4mm
107
tetragonal
4mm
10,153.815377
false
[CIF] data_NbAsPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14719882 _cell_length_b 5.14719882 _cell_length_c 5.14719882 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbAsPb2 _chemical_formula_sum 'Nb1 As1 Pb2' _cell_volume 96.42681769 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 3.63961919 3.63961919 3.63961919 1 Pb Pb2 1 1.81980959 1.81980960 1.81980960 1 Pb Pb3 1 5.45942879 5.45942879 5.45942879 1 [/CIF]
AsNbPb2
Fm-3m
225
cubic
m-3m
10,026.384046
false
[CIF] data_TiSi2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51316073 _cell_length_b 4.51316073 _cell_length_c 4.51316073 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiSi2Ge _chemical_formula_sum 'Ti1 Si2 Ge1' _cell_volume 65.00210266 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.78692984 4.78692984 4.78692984 1 Si Si1 1 1.59564328 1.59564328 1.59564328 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 Ti Ti3 1 3.19128656 3.19128656 3.19128656 1 [/CIF]
GeSi2Ti
F-43m
216
cubic
-43m
4,513.403554
false
[CIF] data_CaMgCr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01920500 _cell_length_b 5.01920500 _cell_length_c 5.01920500 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMgCr2 _chemical_formula_sum 'Ca1 Mg1 Cr2' _cell_volume 89.41076352 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.32367084 5.32367084 5.32367084 1 Cr Cr1 1 1.77455694 1.77455694 1.77455694 1 Cr Cr2 1 3.54911389 3.54911389 3.54911389 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CaCr2Mg
F-43m
216
cubic
-43m
3,127.068671
false
[CIF] data_LaTlIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98636768 _cell_length_b 4.98636768 _cell_length_c 4.98636768 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTlIr _chemical_formula_sum 'La1 Tl1 Ir1' _cell_volume 87.66735404 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.76294720 1.76294720 1.76294720 1 La La1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 5.28884160 5.28884160 5.28884160 1 [/CIF]
IrLaTl
F-43m
216
cubic
-43m
10,143.208509
false
[CIF] data_CaYAlCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27065899 _cell_length_b 5.27065899 _cell_length_c 5.27065899 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaYAlCd _chemical_formula_sum 'Ca1 Y1 Al1 Cd1' _cell_volume 103.53322835 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ca Ca1 1 5.59037807 5.59037807 5.59037807 1 Cd Cd2 1 3.72691871 3.72691871 3.72691871 1 Y Y3 1 1.86345936 1.86345936 1.86345936 1 [/CIF]
AlCaCdY
F-43m
216
cubic
-43m
4,304.410139
false
[CIF] data_AlGa2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98530307 _cell_length_b 4.98530307 _cell_length_c 4.98530307 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlGa2Br _chemical_formula_sum 'Al1 Ga2 Br1' _cell_volume 87.61121423 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Br Br1 1 1.76257081 1.76257081 1.76257081 1 Ga Ga2 1 3.52514161 3.52514161 3.52514161 1 Ga Ga3 1 5.28771242 5.28771242 5.28771242 1 [/CIF]
AlBrGa2
F-43m
216
cubic
-43m
4,668.844585
false
[CIF] data_SiRhCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48127702 _cell_length_b 4.48127702 _cell_length_c 3.41940850 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiRhCl2 _chemical_formula_sum 'Si1 Rh1 Cl2' _cell_volume 68.66802715 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.24063851 1.70970425 1 Cl Cl1 1 2.24063851 0.00000000 1.70970425 1 Rh Rh2 1 2.24063851 2.24063851 0.00000000 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cl2RhSi
P4/mmm
123
tetragonal
4/mmm
4,882.299228
false
[CIF] data_CoNiSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29387585 _cell_length_b 4.29387585 _cell_length_c 5.24743494 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoNiSn _chemical_formula_sum 'Co2 Ni2 Sn2' _cell_volume 83.78700400 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 2.62371747 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 0.00000000 2.47907038 1.31185873 1 Ni Ni3 1 2.14693793 1.23953519 3.93557620 1 Sn Sn4 1 0.00000000 2.47907038 3.93557620 1 Sn Sn5 1 2.14693793 1.23953519 1.31185873 1 [/CIF]
Co2Ni2Sn2
P6_3/mmc
194
hexagonal
6/mmm
9,367.80872
false
[CIF] data_Ag2BiAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28818738 _cell_length_b 5.28818738 _cell_length_c 4.99988064 _cell_angle_alpha 105.93157423 _cell_angle_beta 105.93157423 _cell_angle_gamma 39.53033925 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag2BiAu _chemical_formula_sum 'Ag2 Bi1 Au1' _cell_volume 85.12475919 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.45093297 0.00000000 3.69247172 1 Ag Ag1 1 7.04402242 0.00000000 1.09000515 1 Au Au2 1 0.00000000 0.00000000 0.00000000 1 Bi Bi3 1 4.24747769 0.00000000 2.39123844 1 [/CIF]
Ag2AuBi
C2/m
12
monoclinic
2/m
12,127.253353
false
[CIF] data_TaCd2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.60656075 _cell_length_b 7.60656075 _cell_length_c 7.60656075 _cell_angle_alpha 158.36043475 _cell_angle_beta 146.94775387 _cell_angle_gamma 39.85259218 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCd2Cl _chemical_formula_sum 'Ta1 Cd2 Cl1' _cell_volume 88.37614954 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 -0.00000000 2.16370502 2.71933769 1 Cd Cd1 1 1.42790708 0.00000000 4.43183203 1 Cl Cl2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 0.00000000 0.00000000 7.15116972 1 [/CIF]
Cd2ClTa
Immm
71
orthorhombic
mmm
8,290.435239
false
[CIF] data_In2TcW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19798759 _cell_length_b 5.19798759 _cell_length_c 2.95795098 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 114.32122941 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2TcW _chemical_formula_sum 'In2 Tc1 W1' _cell_volume 72.82816089 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.40939767 -2.18365908 1.47897549 1 In In1 1 1.40939767 2.18365908 1.47897549 1 Tc Tc2 1 -0.00000000 0.00000000 0.00000000 1 W W3 1 2.81879533 0.00000000 0.00000000 1 [/CIF]
In2TcW
Cmmm
65
orthorhombic
mmm
11,682.715172
false
[CIF] data_BaTe2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36578515 _cell_length_b 5.36578515 _cell_length_c 3.70094342 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTe2Os _chemical_formula_sum 'Ba1 Te2 Os1' _cell_volume 106.55626864 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 2.68289258 2.68289258 0.00000000 1 Te Te2 1 2.68289258 0.00000000 1.85047171 1 Te Te3 1 0.00000000 2.68289258 1.85047171 1 [/CIF]
BaOsTe2
P4/mmm
123
tetragonal
4/mmm
9,081.500105
false
[CIF] data_TlZn2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12306834 _cell_length_b 3.12306834 _cell_length_c 7.56390199 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlZn2Rh _chemical_formula_sum 'Tl1 Zn2 Rh1' _cell_volume 73.77494031 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 3.78195100 1 Zn Zn2 1 1.56153417 1.56153417 6.17829196 1 Zn Zn3 1 1.56153417 1.56153417 1.38561003 1 [/CIF]
RhTlZn2
P4/mmm
123
tetragonal
4/mmm
9,859.77321
false
[CIF] data_Li2TcW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.60669457 _cell_length_b 2.60669457 _cell_length_c 9.15525220 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2TcW _chemical_formula_sum 'Li2 Tc1 W1' _cell_volume 62.20862566 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.10433417 1 Li Li1 1 1.30334729 1.30334729 2.37672471 1 Tc Tc2 1 0.00000000 0.00000000 4.54512624 1 W W3 1 1.30334729 1.30334729 6.86194539 1 [/CIF]
Li2TcW
P4mm
99
tetragonal
4mm
7,917.916673
false
[CIF] data_KAsO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.40995448 _cell_length_b 6.40995448 _cell_length_c 6.40995448 _cell_angle_alpha 109.26983613 _cell_angle_beta 109.26983613 _cell_angle_gamma 109.87474480 _symmetry_Int_Tables_number 1 _chemical_formula_structural KAsO4 _chemical_formula_sum 'K2 As2 O8' _cell_volume 202.73408721 _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 0.00000000 0.00000000 0.00000000 1 K K1 1 -0.00000000 3.70998100 1.84116800 1 As As2 1 0.00000000 0.00000000 3.68233600 1 As As3 1 3.70998100 0.00000000 1.84116800 1 O O4 1 1.15098080 0.75859095 4.74512813 1 O O5 1 2.55900020 0.75859095 0.77837587 1 O O6 1 2.55900020 2.95139005 1.06279213 1 O O7 1 4.86096180 -0.75859095 0.77837587 1 O O8 1 -0.75859095 1.15098080 2.61954387 1 O O9 1 4.46857195 1.15098080 2.90396013 1 O O10 1 4.46857195 2.55900020 -1.06279213 1 O O11 1 2.95139005 -1.15098080 2.90396013 1 [/CIF]
As2K2O8
I-42d
122
tetragonal
-42m
2,916.184618
false
[CIF] data_YAl2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55009654 _cell_length_b 5.10482945 _cell_length_c 5.25803747 _cell_angle_alpha 90.00000000 _cell_angle_beta 93.39121547 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YAl2Cl _chemical_formula_sum 'Y1 Al2 Cl1' _cell_volume 95.12264565 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61614252 2.55241473 3.88894409 1 Al Al1 1 1.62292362 2.55241473 1.35988608 1 Cl Cl2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 -0.15551520 0.00000000 2.62441508 1 [/CIF]
Al2ClY
P2/m
10
monoclinic
2/m
3,112.934092
false
[CIF] data_KSiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71866395 _cell_length_b 4.71866395 _cell_length_c 4.71866395 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSiMo _chemical_formula_sum 'K1 Si1 Mo1' _cell_volume 74.29201725 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 3.33659928 3.33659928 3.33659928 1 Mo Mo1 1 1.66829964 1.66829964 1.66829964 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
KMoSi
F-43m
216
cubic
-43m
3,646.510936
false
[CIF] data_AcGd2O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.08498527 _cell_length_b 7.08498527 _cell_length_c 7.08498527 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AcGd2O4 _chemical_formula_sum 'Ac2 Gd4 O8' _cell_volume 251.47907684 _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 Ac Ac0 1 0.00000000 0.00000000 0.00000000 1 Ac Ac1 1 2.50492057 2.50492057 2.50492057 1 Gd Gd2 1 3.75738085 3.75738085 6.26230141 1 Gd Gd3 1 3.75738085 6.26230141 3.75738085 1 Gd Gd4 1 6.26230141 3.75738085 3.75738085 1 Gd Gd5 1 6.26230141 6.26230141 6.26230141 1 O O6 1 3.91757339 3.91757339 3.91757339 1 O O7 1 3.91757339 6.10210887 6.10210887 1 O O8 1 6.10210887 3.91757339 6.10210887 1 O O9 1 6.42249395 6.42249395 8.60702944 1 O O10 1 6.10210887 6.10210887 3.91757339 1 O O11 1 6.42249395 8.60702944 6.42249395 1 O O12 1 8.60702944 8.60702944 8.60702944 1 O O13 1 8.60702944 6.42249395 6.42249395 1 [/CIF]
Ac2Gd4O8
Fd-3m
227
cubic
m-3m
7,996.310956
false
[CIF] data_VTcIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73440686 _cell_length_b 4.73440686 _cell_length_c 4.68220868 _cell_angle_alpha 99.71257150 _cell_angle_beta 99.71257150 _cell_angle_gamma 33.49380509 _symmetry_Int_Tables_number 1 _chemical_formula_structural VTcIr2 _chemical_formula_sum 'V1 Tc1 Ir2' _cell_volume 57.01034792 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.58504166 0.00000000 1.15002777 1 Ir Ir1 1 1.65726901 0.00000000 3.45894341 1 Tc Tc2 1 4.12115533 -0.00000000 2.30448559 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ir2TcV
C2/m
12
monoclinic
2/m
15,562.010543
false
[CIF] data_BaMnReBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15339026 _cell_length_b 5.15339026 _cell_length_c 5.15339026 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMnReBi _chemical_formula_sum 'Ba1 Mn1 Re1 Bi1' _cell_volume 96.77520489 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 5.46599580 5.46599580 5.46599580 1 Bi Bi1 1 3.64399720 3.64399720 3.64399720 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 1.82199860 1.82199860 1.82199860 1 [/CIF]
BaBiMnRe
F-43m
216
cubic
-43m
10,079.934585
false
[CIF] data_YTcSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67710880 _cell_length_b 3.67710880 _cell_length_c 5.96782260 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTcSe2 _chemical_formula_sum 'Y1 Tc1 Se2' _cell_volume 80.69169998 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Se Se0 1 1.83855440 1.83855440 5.74311504 1 Se Se1 1 0.00000000 0.00000000 1.89165421 1 Tc Tc2 1 1.83855440 1.83855440 2.58577297 1 Y Y3 1 0.00000000 0.00000000 4.69901434 1 [/CIF]
Se2TcY
P4mm
99
tetragonal
4mm
7,114.753757
false
[CIF] data_BeAs2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97308725 _cell_length_b 2.97308725 _cell_length_c 7.31551181 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeAs2Ru _chemical_formula_sum 'Be1 As2 Ru1' _cell_volume 64.66362164 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.66018629 1 As As1 1 1.48654362 1.48654362 2.49273841 1 Be Be2 1 0.00000000 0.00000000 4.00668007 1 Ru Ru3 1 1.48654362 1.48654362 5.12917476 1 [/CIF]
As2BeRu
P4mm
99
tetragonal
4mm
6,674.792414
false
[CIF] data_SbMoAu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56228910 _cell_length_b 5.56228910 _cell_length_c 5.56228910 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbMoAu4 _chemical_formula_sum 'Sb1 Mo1 Au4' _cell_volume 121.68741749 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.94691962 2.94691962 4.91934506 1 Au Au1 1 2.94691962 4.91934506 2.94691962 1 Au Au2 1 4.91934506 2.94691962 2.94691962 1 Au Au3 1 4.91934506 4.91934506 4.91934506 1 Mo Mo4 1 0.00000000 0.00000000 0.00000000 1 Sb Sb5 1 1.96656617 1.96656617 1.96656617 1 [/CIF]
Au4MoSb
F-43m
216
cubic
-43m
13,722.168903
false
[CIF] data_FePOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54724406 _cell_length_b 4.54724406 _cell_length_c 4.54724406 _cell_angle_alpha 132.09227163 _cell_angle_beta 132.09227163 _cell_angle_gamma 70.08333287 _symmetry_Int_Tables_number 1 _chemical_formula_structural FePOs2 _chemical_formula_sum 'Fe1 P1 Os2' _cell_volume 50.75770648 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.84618520 -0.00000000 1.86149328 1 Os Os1 1 0.00000000 -0.00000000 3.72298656 1 Os Os2 1 -0.00000000 1.84618520 1.86149328 1 P P3 1 -0.00000000 0.00000000 -0.00000000 1 [/CIF]
FeOs2P
I-4m2
119
tetragonal
-42m
15,287.031136
false
[CIF] data_Y2MgTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36465866 _cell_length_b 5.36465866 _cell_length_c 5.36465866 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2MgTe _chemical_formula_sum 'Y2 Mg1 Te1' _cell_volume 109.17200474 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Te Te1 1 3.79338652 3.79338652 3.79338652 1 Y Y2 1 5.69007978 5.69007978 5.69007978 1 Y Y3 1 1.89669326 1.89669326 1.89669326 1 [/CIF]
MgTeY2
Fm-3m
225
cubic
m-3m
5,015.090293
false
[CIF] data_MnCuNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48265896 _cell_length_b 2.48265896 _cell_length_c 7.12318138 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCuNi2 _chemical_formula_sum 'Mn1 Cu1 Ni2' _cell_volume 43.90440878 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.56159069 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 1.24132948 1.24132948 1.71859444 1 Ni Ni3 1 1.24132948 1.24132948 5.40458694 1 [/CIF]
CuMnNi2
P4/mmm
123
tetragonal
4/mmm
8,921.034667
false
[CIF] data_TaTiBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70366861 _cell_length_b 4.70366861 _cell_length_c 3.23085211 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTiBr2 _chemical_formula_sum 'Ta1 Ti1 Br2' _cell_volume 71.48098231 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.35183431 1.61542605 1 Br Br1 1 2.35183431 0.00000000 1.61542605 1 Ta Ta2 1 2.35183431 2.35183431 0.00000000 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br2TaTi
P4/mmm
123
tetragonal
4/mmm
9,027.904395
false
[CIF] data_MgCu2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40206599 _cell_length_b 3.40206599 _cell_length_c 5.83991329 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCu2Sn _chemical_formula_sum 'Mg1 Cu2 Sn1' _cell_volume 67.59146594 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.70103300 1.70103300 4.47761540 1 Cu Cu1 1 1.70103300 1.70103300 1.36229789 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 0.00000000 0.00000000 2.91995665 1 [/CIF]
Cu2MgSn
P4/mmm
123
tetragonal
4/mmm
6,636.765479
false
[CIF] data_LaTiOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17275032 _cell_length_b 3.17275032 _cell_length_c 7.27681467 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTiOs2 _chemical_formula_sum 'La1 Ti1 Os2' _cell_volume 73.25092401 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 0.00000000 0.00000000 3.63840734 1 Os Os1 1 1.58637516 1.58637516 5.80876010 1 Os Os2 1 1.58637516 1.58637516 1.46805457 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaOs2Ti
P4/mmm
123
tetragonal
4/mmm
12,858.700269
false
[CIF] data_NaLaCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43942598 _cell_length_b 5.43942598 _cell_length_c 5.43942598 _cell_angle_alpha 138.63965789 _cell_angle_beta 126.86367916 _cell_angle_gamma 69.48321338 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLaCo2 _chemical_formula_sum 'Na1 La1 Co2' _cell_volume 83.55476989 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.43284926 0.52647346 1 Co Co1 1 -0.00000000 0.00000000 6.11708522 1 La La2 1 0.00000000 2.43284926 4.31702971 1 Na Na3 1 -0.00000000 -0.00000000 2.44863704 1 [/CIF]
Co2LaNa
Imm2
44
orthorhombic
mm2
5,560.070307
false
[CIF] data_TiReSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45294264 _cell_length_b 5.45294264 _cell_length_c 5.45294264 _cell_angle_alpha 144.61232543 _cell_angle_beta 124.23635895 _cell_angle_gamma 67.79877961 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiReSn2 _chemical_formula_sum 'Ti1 Re1 Sn2' _cell_volume 76.51299188 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Re Re0 1 -0.00000000 -0.00000000 4.52604177 1 Sn Sn1 1 1.65731608 0.00000000 2.32682540 1 Sn Sn2 1 0.00000000 2.55006524 2.19921637 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
ReSn2Ti
Immm
71
orthorhombic
mmm
10,232.69627
false
[CIF] data_YMg30NiO32 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.59340835 _cell_length_b 8.59340835 _cell_length_c 8.54838399 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMg30NiO32 _chemical_formula_sum 'Y1 Mg30 Ni1 O32' _cell_volume 631.26966649 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Y Y0 1 4.29670418 4.29670418 4.27419199 1 Mg Mg1 1 4.29670418 0.00000000 4.27419199 1 Mg Mg2 1 0.00000000 4.29670418 4.27419199 1 Mg Mg3 1 4.29670418 4.29670418 0.00000000 1 Mg Mg4 1 4.29670418 0.00000000 0.00000000 1 Mg Mg5 1 0.00000000 4.29670418 0.00000000 1 Mg Mg6 1 0.00000000 0.00000000 0.00000000 1 Mg Mg7 1 6.52745192 6.52745192 4.27419199 1 Mg Mg8 1 6.52745192 2.06595643 4.27419199 1 Mg Mg9 1 2.06595643 6.52745192 4.27419199 1 Mg Mg10 1 2.06595643 2.06595643 4.27419199 1 Mg Mg11 1 6.46019871 6.46019871 0.00000000 1 Mg Mg12 1 6.46019871 2.13320964 0.00000000 1 Mg Mg13 1 2.13320964 6.46019871 0.00000000 1 Mg Mg14 1 2.13320964 2.13320964 0.00000000 1 Mg Mg15 1 4.29670418 6.50802472 6.45623061 1 Mg Mg16 1 4.29670418 2.08538363 6.45623061 1 Mg Mg17 1 0.00000000 6.47105235 6.39315191 1 Mg Mg18 1 0.00000000 2.12235600 6.39315191 1 Mg Mg19 1 4.29670418 6.50802472 2.09215338 1 Mg Mg20 1 4.29670418 2.08538363 2.09215338 1 Mg Mg21 1 0.00000000 6.47105235 2.15523208 1 Mg Mg22 1 0.00000000 2.12235600 2.15523208 1 Mg Mg23 1 6.50802472 4.29670418 6.45623061 1 Mg Mg24 1 6.47105235 0.00000000 6.39315191 1 Mg Mg25 1 2.08538363 4.29670418 6.45623061 1 Mg Mg26 1 2.12235600 0.00000000 6.39315191 1 Mg Mg27 1 6.50802472 4.29670418 2.09215338 1 Mg Mg28 1 6.47105235 0.00000000 2.15523208 1 Mg Mg29 1 2.08538363 4.29670418 2.09215338 1 Mg Mg30 1 2.12235600 0.00000000 2.15523208 1 Ni Ni31 1 0.00000000 0.00000000 4.27419199 1 O O32 1 4.29670418 4.29670418 6.49753751 1 O O33 1 4.29670418 0.00000000 6.44310687 1 O O34 1 0.00000000 4.29670418 6.44310687 1 O O35 1 0.00000000 0.00000000 6.47874603 1 O O36 1 4.29670418 4.29670418 2.05084648 1 O O37 1 4.29670418 0.00000000 2.10527712 1 O O38 1 0.00000000 4.29670418 2.10527712 1 O O39 1 0.00000000 0.00000000 2.06963796 1 O O40 1 6.44016318 6.44016318 6.40602868 1 O O41 1 6.44016318 2.15324517 6.40602868 1 O O42 1 2.15324517 6.44016318 6.40602868 1 O O43 1 2.15324517 2.15324517 6.40602868 1 O O44 1 6.44016318 6.44016318 2.14235531 1 O O45 1 6.44016318 2.15324517 2.14235531 1 O O46 1 2.15324517 6.44016318 2.14235531 1 O O47 1 2.15324517 2.15324517 2.14235531 1 O O48 1 4.29670418 6.51363699 4.27419199 1 O O49 1 4.29670418 2.07977136 4.27419199 1 O O50 1 0.00000000 6.32433795 4.27419199 1 O O51 1 0.00000000 2.26907040 4.27419199 1 O O52 1 4.29670418 6.44921255 0.00000000 1 O O53 1 4.29670418 2.14419580 0.00000000 1 O O54 1 0.00000000 6.43516680 0.00000000 1 O O55 1 0.00000000 2.15824155 0.00000000 1 O O56 1 6.51363699 4.29670418 4.27419199 1 O O57 1 6.32433795 0.00000000 4.27419199 1 O O58 1 2.07977136 4.29670418 4.27419199 1 O O59 1 2.26907040 0.00000000 4.27419199 1 O O60 1 6.44921255 4.29670418 0.00000000 1 O O61 1 6.43516680 0.00000000 0.00000000 1 O O62 1 2.14419580 4.29670418 0.00000000 1 O O63 1 2.15824155 0.00000000 0.00000000 1 [/CIF]
Mg30NiO32Y
P4/mmm
123
tetragonal
4/mmm
3,653.019658
true
[CIF] data_Ti2TcBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13409282 _cell_length_b 3.13409282 _cell_length_c 7.35638874 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 93.90206981 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2TcBr _chemical_formula_sum 'Ti2 Tc1 Br1' _cell_volume 72.09089844 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tc Tc1 1 0.00000000 0.00000000 3.67819437 1 Ti Ti2 1 2.13940424 0.00000000 5.15631569 1 Ti Ti3 1 2.13940424 0.00000000 2.20007305 1 [/CIF]
BrTcTi2
Cmmm
65
orthorhombic
mmm
6,323.840866
false
[CIF] data_YZnSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.76818995 _cell_length_b 5.76818995 _cell_length_c 5.76818995 _cell_angle_alpha 146.25613304 _cell_angle_beta 146.25613304 _cell_angle_gamma 48.46647587 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZnSi _chemical_formula_sum 'Y1 Zn1 Si1' _cell_volume 58.96744790 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Si Si0 1 0.00000000 -0.00000000 0.25922002 1 Y Y1 1 0.00000000 -0.00000000 3.51715748 1 Zn Zn2 1 0.00000000 0.00000000 6.74344154 1 [/CIF]
SiYZn
I4mm
107
tetragonal
4mm
5,135.625876
false
[CIF] data_YCr2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03465590 _cell_length_b 3.64822344 _cell_length_c 6.37414823 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.11598243 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCr2W _chemical_formula_sum 'Y1 Cr2 W1' _cell_volume 69.47180266 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.24716732 1.82411172 0.46872343 1 Cr Cr1 1 1.07812805 0.00000000 1.48206703 1 W W2 1 2.29098985 1.82411172 2.67233393 1 Y Y3 1 0.77368067 0.00000000 4.78946128 1 [/CIF]
Cr2WY
Pm
6
monoclinic
m
9,004.923234
false
[CIF] data_V2GaHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51866311 _cell_length_b 4.51866311 _cell_length_c 3.19536186 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2GaHg _chemical_formula_sum 'V2 Ga1 Hg1' _cell_volume 65.24390916 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 2.25933156 2.25933156 0.00000000 1 V V2 1 2.25933156 0.00000000 1.59768093 1 V V3 1 0.00000000 2.25933156 1.59768093 1 [/CIF]
GaHgV2
P4/mmm
123
tetragonal
4/mmm
9,472.85358
false
[CIF] data_CsAl3Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54091770 _cell_length_b 5.54091770 _cell_length_c 5.54091770 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsAl3Se _chemical_formula_sum 'Cs1 Al3 Se1' _cell_volume 170.11597504 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cs Cs0 1 2.77045885 2.77045885 2.77045885 1 Al Al1 1 0.00000000 2.77045885 0.00000000 1 Al Al2 1 0.00000000 0.00000000 2.77045885 1 Al Al3 1 2.77045885 0.00000000 0.00000000 1 Se Se4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al3CsSe
Pm-3m
221
cubic
m-3m
2,858.182816
false
[CIF] data_TbCoB4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91318400 _cell_length_b 11.44375600 _cell_length_c 3.40479600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbCoB4 _chemical_formula_sum 'Tb4 Co4 B16' _cell_volume 230.39925928 _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 Tb Tb0 1 2.20396194 1.71594544 1.70239800 1 Tb Tb1 1 3.70922206 9.72781056 1.70239800 1 Tb Tb2 1 0.75263006 7.43782344 1.70239800 1 Tb Tb3 1 5.16055394 4.00593256 1.70239800 1 Co Co4 1 2.16098492 4.70188458 1.70239800 1 Co Co5 1 3.75219908 6.74187142 1.70239800 1 Co Co6 1 0.79560708 10.42376258 1.70239800 1 Co Co7 1 5.11757692 1.01999342 1.70239800 1 B B8 1 0.65629838 0.52430712 0.00000000 1 B B9 1 5.25688562 10.91944888 0.00000000 1 B B10 1 2.30029362 6.24618512 0.00000000 1 B B11 1 3.61289038 5.19757088 0.00000000 1 B B12 1 0.82556918 5.35063111 0.00000000 1 B B13 1 5.08761482 6.09312489 0.00000000 1 B B14 1 2.13102282 11.07250911 0.00000000 1 B B15 1 3.78216118 0.37124689 0.00000000 1 B B16 1 0.13639350 2.17948622 0.00000000 1 B B17 1 5.77679050 9.26426978 0.00000000 1 B B18 1 2.82019850 7.90136422 0.00000000 1 B B19 1 3.09298550 3.54239178 0.00000000 1 B B20 1 1.29644785 3.61057368 0.00000000 1 B B21 1 4.61673615 7.83318232 0.00000000 1 B B22 1 1.66014415 9.33245168 0.00000000 1 B B23 1 4.25303985 2.11130432 0.00000000 1 [/CIF]
B16Co4Tb4
Pbam
55
orthorhombic
mmm
7,527.298095
false
[CIF] data_NbGaMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25313936 _cell_length_b 5.25313936 _cell_length_c 5.25313936 _cell_angle_alpha 143.39908301 _cell_angle_beta 130.26433949 _cell_angle_gamma 63.31257549 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbGaMo2 _chemical_formula_sum 'Nb1 Ga1 Mo2' _cell_volume 65.17445855 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 1.64948604 0.00000000 2.31634010 1 Mo Mo2 1 -0.00000000 2.20908416 2.15519388 1 Nb Nb3 1 -0.00000000 0.00000000 4.47153398 1 [/CIF]
GaMo2Nb
Immm
71
orthorhombic
mmm
9,033.395437
false
[CIF] data_ZrFe2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.77657223 _cell_length_b 4.00843787 _cell_length_c 5.18648738 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.54127492 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrFe2Co _chemical_formula_sum 'Zr1 Fe2 Co1' _cell_volume 55.87506198 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 1.85099124 2.00421893 1.08488571 1 Fe Fe2 1 -0.37662866 2.00421893 3.93546302 1 Zr Zr3 1 0.73718129 0.00000000 2.51017437 1 [/CIF]
CoFe2Zr
P2/m
10
monoclinic
2/m
7,781.78102
false
[CIF] data_NbIn2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25120325 _cell_length_b 5.25120325 _cell_length_c 2.99150035 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 113.50057794 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbIn2Tc _chemical_formula_sum 'Nb1 In2 Tc1' _cell_volume 75.64889620 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.43958852 -2.19576155 1.49575017 1 In In1 1 1.43958852 2.19576155 1.49575017 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 2.87917704 0.00000000 0.00000000 1 [/CIF]
In2NbTc
Cmmm
65
orthorhombic
mmm
9,251.05146
false
[CIF] data_VBi2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51149594 _cell_length_b 3.51149594 _cell_length_c 6.75255909 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VBi2B _chemical_formula_sum 'V1 Bi2 B1' _cell_volume 83.26313011 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Bi Bi1 1 1.75574797 1.75574797 1.62760153 1 Bi Bi2 1 1.75574797 1.75574797 5.12495756 1 V V3 1 0.00000000 0.00000000 3.37627955 1 [/CIF]
BBi2V
P4/mmm
123
tetragonal
4/mmm
9,567.052005
false
[CIF] data_TaRuPtRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44782195 _cell_length_b 4.44782195 _cell_length_c 4.44782195 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaRuPtRh _chemical_formula_sum 'Ta1 Ru1 Pt1 Rh1' _cell_volume 62.21959537 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.71762759 4.71762759 4.71762759 1 Rh Rh1 1 3.14508506 3.14508506 3.14508506 1 Ru Ru2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 1.57254253 1.57254253 1.57254253 1 [/CIF]
PtRhRuTa
F-43m
216
cubic
-43m
15,479.446751
false
[CIF] data_Ba2LiMn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81928791 _cell_length_b 4.07953327 _cell_length_c 8.53217549 _cell_angle_alpha 90.00000000 _cell_angle_beta 94.20999533 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2LiMn _chemical_formula_sum 'Ba2 Li1 Mn1' _cell_volume 132.58036479 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.36143922 2.03976663 6.09502971 1 Ba Ba1 1 1.83148310 2.03976663 2.41412329 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Mn Mn3 1 -0.31318280 0.00000000 4.25457650 1 [/CIF]
Ba2LiMn
P2/m
10
monoclinic
2/m
4,215.000233
false
[CIF] data_TiBeRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89535508 _cell_length_b 3.89535508 _cell_length_c 3.89535508 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiBeRh _chemical_formula_sum 'Ti1 Be1 Rh1' _cell_volume 41.79517582 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 4.13164798 4.13164798 4.13164799 1 Ti Ti2 1 1.37721599 1.37721599 1.37721600 1 [/CIF]
BeRhTi
F-43m
216
cubic
-43m
6,348.30938
false
[CIF] data_Hg2S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.66527593 _cell_length_b 8.66527593 _cell_length_c 5.62893909 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg2S _chemical_formula_sum 'Hg8 S4' _cell_volume 366.03446005 _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 Hg Hg0 1 0.00000000 0.00000000 2.81446955 1 Hg Hg1 1 0.00000000 0.00000000 0.00000000 1 Hg Hg2 1 1.95551058 6.13191395 4.22170432 1 Hg Hg3 1 2.37712738 1.37243513 1.40723477 1 Hg Hg4 1 -1.95551058 6.13191395 4.22170432 1 Hg Hg5 1 0.00000000 2.74487027 4.22170432 1 Hg Hg6 1 4.33263796 4.75947882 1.40723477 1 Hg Hg7 1 6.28814854 1.37243513 1.40723477 1 S S8 1 4.33263796 2.50144969 3.20606403 1 S S9 1 0.00000000 5.00289939 0.39159448 1 S S10 1 -0.00000000 5.00289939 2.42287506 1 S S11 1 4.33263796 2.50144969 5.23734461 1 [/CIF]
Hg8S4
P6_3/mmc
194
hexagonal
6/mmm
7,861.776156
false
[CIF] data_NaNi2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84029786 _cell_length_b 2.84029786 _cell_length_c 7.79133222 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaNi2Ag _chemical_formula_sum 'Na1 Ni2 Ag1' _cell_volume 62.85495175 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.42014893 1.42014893 3.52975250 1 Na Na1 1 0.00000000 0.00000000 6.03946574 1 Ni Ni2 1 1.42014893 1.42014893 0.43482794 1 Ni Ni3 1 0.00000000 0.00000000 1.68295215 1 [/CIF]
AgNaNi2
P4mm
99
tetragonal
4mm
6,558.289514
false
[CIF] data_PrTl2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39021701 _cell_length_b 5.39021701 _cell_length_c 5.39021701 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrTl2Ge _chemical_formula_sum 'Pr1 Tl2 Ge1' _cell_volume 110.73980461 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pr Pr1 1 3.81145900 3.81145900 3.81145900 1 Tl Tl2 1 5.71718850 5.71718850 5.71718850 1 Tl Tl3 1 1.90572950 1.90572950 1.90572950 1 [/CIF]
GePrTl2
Fm-3m
225
cubic
m-3m
9,331.577995
false
[CIF] data_BaGaNiBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33225277 _cell_length_b 5.33225277 _cell_length_c 5.33225277 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaGaNiBi _chemical_formula_sum 'Ba1 Ga1 Ni1 Bi1' _cell_volume 107.20552965 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 5.65570814 5.65570814 5.65570814 1 Bi Bi1 1 3.77047209 3.77047209 3.77047209 1 Ga Ga2 1 1.88523605 1.88523605 1.88523605 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaBiGaNi
F-43m
216
cubic
-43m
7,353.141375
false
[CIF] data_LiBePb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94037301 _cell_length_b 4.94037301 _cell_length_c 3.55655558 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiBePb2 _chemical_formula_sum 'Li1 Be1 Pb2' _cell_volume 86.80586736 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.47018651 2.47018651 0.00000000 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 0.00000000 2.47018651 1.77827779 1 Pb Pb3 1 2.47018651 0.00000000 1.77827779 1 [/CIF]
BeLiPb2
P4/mmm
123
tetragonal
4/mmm
8,232.372913
false
[CIF] data_Ag2TePt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.04563802 _cell_length_b 10.04563802 _cell_length_c 10.04563802 _cell_angle_alpha 17.54967615 _cell_angle_beta 17.54967615 _cell_angle_gamma 17.54967615 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag2TePt _chemical_formula_sum 'Ag2 Te1 Pt1' _cell_volume 80.44764833 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 22.48626047 1 Ag Ag1 1 -0.00000000 -0.00000000 7.17940370 1 Pt Pt2 1 0.00000000 0.00000000 14.83283209 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2PtTe
R-3m
166
trigonal
-3m
11,113.66369
false
[CIF] data_BeGeMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90324956 _cell_length_b 3.90324956 _cell_length_c 3.90324956 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeGeMo _chemical_formula_sum 'Be1 Ge1 Mo1' _cell_volume 42.04980239 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.38000711 1.38000711 1.38000711 1 Mo Mo2 1 4.14002135 4.14002135 4.14002135 1 [/CIF]
BeGeMo
F-43m
216
cubic
-43m
7,013.872839
false
[CIF] data_K2ScNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.74052325 _cell_length_b 6.74052325 _cell_length_c 6.61258158 _cell_angle_alpha 99.29125359 _cell_angle_beta 99.29125359 _cell_angle_gamma 33.34184173 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2ScNi _chemical_formula_sum 'K2 Sc1 Ni1' _cell_volume 162.76978492 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.41342457 -0.00000000 1.63896818 1 K K1 1 2.38652424 -0.00000000 4.87902249 1 Ni Ni2 1 5.89997441 -0.00000000 3.25899534 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
K2NiSc
C2/m
12
monoclinic
2/m
1,855.149229
false
[CIF] data_NaZrInFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78641867 _cell_length_b 4.78641867 _cell_length_c 4.78641867 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZrInFe _chemical_formula_sum 'Na1 Zr1 In1 Fe1' _cell_volume 77.53843909 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.07676365 5.07676365 5.07676365 1 In In1 1 1.69225455 1.69225455 1.69225455 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 3.38450910 3.38450910 3.38450910 1 [/CIF]
FeInNaZr
F-43m
216
cubic
-43m
6,100.832182
false
[CIF] data_ScCrNiAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47639006 _cell_length_b 4.47639006 _cell_length_c 4.47639006 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCrNiAg _chemical_formula_sum 'Sc1 Cr1 Ni1 Ag1' _cell_volume 63.42621154 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.16528577 3.16528577 3.16528577 1 Cr Cr1 1 1.58264289 1.58264289 1.58264289 1 Ni Ni2 1 4.74792866 4.74792866 4.74792866 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgCrNiSc
F-43m
216
cubic
-43m
6,898.956074
false
[CIF] data_BeB2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69294362 _cell_length_b 3.69294362 _cell_length_c 3.69755017 _cell_angle_alpha 110.41274153 _cell_angle_beta 110.41274153 _cell_angle_gamma 46.89372008 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeB2Ru _chemical_formula_sum 'Be1 B2 Ru1' _cell_volume 34.05152664 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.55512126 0.00000000 2.97643297 1 B B1 1 4.81520675 -0.00000000 0.44349051 1 Be Be2 1 0.00000000 0.00000000 0.00000000 1 Ru Ru3 1 2.68516401 0.00000000 1.70996174 1 [/CIF]
B2BeRu
C2/m
12
monoclinic
2/m
6,422.617751
false
[CIF] data_TaHgB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23061937 _cell_length_b 5.23061937 _cell_length_c 5.23061937 _cell_angle_alpha 142.68113648 _cell_angle_beta 142.68113648 _cell_angle_gamma 53.80410464 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaHgB2 _chemical_formula_sum 'Ta1 Hg1 B2' _cell_volume 52.25416051 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67349607 2.33228433 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Hg Hg2 1 1.67349607 0.00000000 2.33228433 1 Ta Ta3 1 -0.00000000 0.00000000 4.66456866 1 [/CIF]
B2HgTa
I-4m2
119
tetragonal
-42m
12,811.663689
false
[CIF] data_Sr3ZnCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.76458859 _cell_length_b 5.76458859 _cell_length_c 5.76458859 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr3ZnCl _chemical_formula_sum 'Sr3 Zn1 Cl1' _cell_volume 191.56005514 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sr Sr0 1 0.00000000 2.88229429 0.00000000 1 Sr Sr1 1 0.00000000 0.00000000 2.88229429 1 Sr Sr2 1 2.88229429 0.00000000 0.00000000 1 Zn Zn3 1 2.88229429 2.88229429 2.88229429 1 Cl Cl4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
ClSr3Zn
Pm-3m
221
cubic
m-3m
3,152.674154
false
[CIF] data_YTlPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57472142 _cell_length_b 3.57472142 _cell_length_c 6.49769429 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTlPd2 _chemical_formula_sum 'Y1 Tl1 Pd2' _cell_volume 83.03165233 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.78736071 1.78736071 1.60835770 1 Pd Pd1 1 1.78736071 1.78736071 4.88933659 1 Tl Tl2 1 0.00000000 0.00000000 3.24884714 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pd2TlY
P4/mmm
123
tetragonal
4/mmm
10,123.240816
false
[CIF] data_Ni2WBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28514349 _cell_length_b 4.28514349 _cell_length_c 4.28514349 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2WBr _chemical_formula_sum 'Ni2 W1 Br1' _cell_volume 55.63922977 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 3.03005402 3.03005402 3.03005402 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 4.54508103 4.54508103 4.54508103 1 W W3 1 1.51502701 1.51502701 1.51502701 1 [/CIF]
BrNi2W
F-43m
216
cubic
-43m
11,374.754567
false
[CIF] data_BPdF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73798727 _cell_length_b 3.73798727 _cell_length_c 3.73798727 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BPdF3 _chemical_formula_sum 'B1 Pd1 F3' _cell_volume 52.22920966 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 F F1 1 1.86899364 0.00000000 0.00000000 1 F F2 1 0.00000000 1.86899364 0.00000000 1 F F3 1 0.00000000 0.00000000 1.86899364 1 Pd Pd4 1 1.86899364 1.86899364 1.86899364 1 [/CIF]
BF3Pd
Pm-3m
221
cubic
m-3m
5,539.226601
false
[CIF] data_ScIr2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02234331 _cell_length_b 3.02234331 _cell_length_c 7.21126265 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScIr2Se _chemical_formula_sum 'Sc1 Ir2 Se1' _cell_volume 65.87170474 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.18659984 1 Ir Ir1 1 1.51117166 1.51117166 1.76580350 1 Sc Sc2 1 0.00000000 0.00000000 3.57375336 1 Se Se3 1 1.51117166 1.51117166 5.50199985 1 [/CIF]
Ir2ScSe
P4mm
99
tetragonal
4mm
12,814.832889
false
[CIF] data_InAg2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27202635 _cell_length_b 5.27202635 _cell_length_c 5.27202635 _cell_angle_alpha 132.01781563 _cell_angle_beta 132.01781563 _cell_angle_gamma 70.20089050 _symmetry_Int_Tables_number 1 _chemical_formula_structural InAg2As _chemical_formula_sum 'In1 Ag2 As1' _cell_volume 79.27684386 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.14357749 2.15664166 1 Ag Ag1 1 2.14357749 -0.00000000 2.15664165 1 As As2 1 0.00000000 0.00000000 0.00000000 1 In In3 1 0.00000000 0.00000000 4.31328331 1 [/CIF]
Ag2AsIn
I4/mmm
139
tetragonal
4/mmm
8,493.132493
false
[CIF] data_VIrPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32472556 _cell_length_b 4.32472556 _cell_length_c 2.69372517 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VIrPd _chemical_formula_sum 'V1 Ir1 Pd1' _cell_volume 43.63158826 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.16236280 1.24844072 2.48722568 1 Pd Pd1 1 0.00000002 2.49688145 1.06186377 1 V V2 1 0.00000000 0.00000000 1.83836089 1 [/CIF]
IrPdV
P3m1
156
trigonal
3m
13,304.323298
false
[CIF] data_KCdInNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11660602 _cell_length_b 5.11660602 _cell_length_c 5.11660602 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCdInNi _chemical_formula_sum 'K1 Cd1 In1 Ni1' _cell_volume 94.71765413 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 3.61798681 3.61798681 3.61798681 1 In In1 1 1.80899340 1.80899341 1.80899341 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Ni Ni3 1 5.42698022 5.42698022 5.42698022 1 [/CIF]
CdInKNi
F-43m
216
cubic
-43m
5,698.088437
false
[CIF] data_YCuReMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60364886 _cell_length_b 4.60364886 _cell_length_c 4.60364886 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCuReMo _chemical_formula_sum 'Y1 Cu1 Re1 Mo1' _cell_volume 68.99086268 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 4.88290700 4.88290700 4.88290699 1 Re Re2 1 3.25527133 3.25527133 3.25527133 1 Y Y3 1 1.62763566 1.62763567 1.62763566 1 [/CIF]
CuMoReY
F-43m
216
cubic
-43m
10,460.828456
false
[CIF] data_ZrTlWAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80050782 _cell_length_b 4.80050782 _cell_length_c 4.80050782 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTlWAu _chemical_formula_sum 'Zr1 Tl1 W1 Au1' _cell_volume 78.22517540 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69723581 1.69723582 1.69723582 1 Tl Tl1 1 5.09170745 5.09170745 5.09170745 1 W W2 1 3.39447163 3.39447163 3.39447163 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuTlWZr
F-43m
216
cubic
-43m
14,358.697809
false
[CIF] data_MnRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78869529 _cell_length_b 4.78869529 _cell_length_c 4.78869529 _cell_angle_alpha 103.81800143 _cell_angle_beta 103.81800143 _cell_angle_gamma 121.48819496 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnRh2 _chemical_formula_sum 'Mn2 Rh4' _cell_volume 81.69784627 _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 Mn Mn0 1 0.00000000 0.00000000 3.51043298 1 Mn Mn1 1 0.00000000 0.00000000 1.17014433 1 Rh Rh2 1 2.04064460 0.91356017 2.34028865 1 Rh Rh3 1 -0.91356017 2.04064460 2.34028865 1 Rh Rh4 1 3.86776494 0.91356017 -0.00000000 1 Rh Rh5 1 0.91356017 2.04064460 0.00000000 1 [/CIF]
Mn2Rh4
I4/mcm
140
tetragonal
4/mmm
10,599.642354
false
[CIF] data_BaHfMgGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30529274 _cell_length_b 5.30529274 _cell_length_c 5.30529274 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaHfMgGa _chemical_formula_sum 'Ba1 Hf1 Mg1 Ga1' _cell_volume 105.58763430 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 5.62711271 5.62711271 5.62711271 1 Ga Ga1 1 3.75140847 3.75140847 3.75140847 1 Hf Hf2 1 1.87570423 1.87570423 1.87570423 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaGaHfMg
F-43m
216
cubic
-43m
6,445.486143
false
[CIF] data_BiPAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.08937020 _cell_length_b 4.08937020 _cell_length_c 5.01632237 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiPAu2 _chemical_formula_sum 'Bi1 P1 Au2' _cell_volume 83.88770132 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.04468510 2.50816119 1 Au Au1 1 2.04468510 0.00000000 2.50816119 1 Bi Bi2 1 2.04468510 2.04468510 0.00000000 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2BiP
P4/mmm
123
tetragonal
4/mmm
12,547.663232
false
[CIF] data_Fe3Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69141987 _cell_length_b 4.69141987 _cell_length_c 4.69141987 _cell_angle_alpha 134.24831884 _cell_angle_beta 134.24831884 _cell_angle_gamma 66.70041289 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe3Se _chemical_formula_sum 'Fe3 Se1' _cell_volume 52.13594518 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.82372139 0.00000000 1.95943238 1 Fe Fe2 1 0.00000000 1.82372139 1.95943238 1 Se Se3 1 -0.00000000 0.00000000 3.91886476 1 [/CIF]
Fe3Se
I4/mmm
139
tetragonal
4/mmm
7,850.909307
false
[CIF] data_GaCo2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91013965 _cell_length_b 2.91013965 _cell_length_c 5.88325651 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaCo2Ru _chemical_formula_sum 'Ga1 Co2 Ru1' _cell_volume 49.82478609 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.09218045 1 Co Co1 1 1.45506982 1.45506982 1.44067468 1 Ga Ga2 1 0.00000000 0.00000000 2.85207474 1 Ru Ru3 1 1.45506982 1.45506982 4.43995490 1 [/CIF]
Co2GaRu
P4mm
99
tetragonal
4mm
9,620.323085
false
[CIF] data_HfNi2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07269655 _cell_length_b 3.07269655 _cell_length_c 5.79580202 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfNi2P _chemical_formula_sum 'Hf1 Ni2 P1' _cell_volume 54.72085646 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53634827 1.53634827 4.43386349 1 Ni Ni1 1 0.00000000 0.00000000 0.18907245 1 Ni Ni2 1 1.53634827 1.53634827 1.58312605 1 P P3 1 0.00000000 0.00000000 2.48764105 1 [/CIF]
HfNi2P
P4mm
99
tetragonal
4mm
9,918.496158
false
[CIF] data_MnTlSnRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68508036 _cell_length_b 4.68508036 _cell_length_c 4.68508036 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnTlSnRu _chemical_formula_sum 'Mn1 Tl1 Sn1 Ru1' _cell_volume 72.71703030 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 0.00000000 0.00000000 0.00000000 1 Ru Ru1 1 3.31285209 3.31285209 3.31285209 1 Sn Sn2 1 4.96927814 4.96927814 4.96927814 1 Tl Tl3 1 1.65642604 1.65642604 1.65642604 1 [/CIF]
MnRuSnTl
F-43m
216
cubic
-43m
10,940.580178
false
[CIF] data_CaBeAgRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57198550 _cell_length_b 4.57198550 _cell_length_c 4.57198550 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaBeAgRh _chemical_formula_sum 'Ca1 Be1 Ag1 Rh1' _cell_volume 67.57709759 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61644097 1.61644097 1.61644098 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Ca Ca2 1 3.23288195 3.23288195 3.23288195 1 Rh Rh3 1 4.84932293 4.84932293 4.84932293 1 [/CIF]
AgBeCaRh
F-43m
216
cubic
-43m
6,385.508456
false
[CIF] data_ReB3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52451601 _cell_length_b 4.52451601 _cell_length_c 3.69154991 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReB3 _chemical_formula_sum 'Re2 B6' _cell_volume 65.44607950 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 -0.00000000 1.04457123 2.76866243 1 B B1 1 1.35763278 3.39606019 2.76866243 1 B B2 1 -1.35763278 3.39606019 2.76866243 1 B B3 1 2.26225801 2.87377458 0.92288748 1 B B4 1 0.90462522 0.52228562 0.92288748 1 B B5 1 3.61989079 0.52228562 0.92288748 1 Re Re6 1 -0.00000000 2.61223054 0.92288748 1 Re Re7 1 2.26225801 1.30611527 2.76866243 1 [/CIF]
B6Re2
P6_3/mmc
194
hexagonal
6/mmm
11,094.943449
false
[CIF] data_LaCuMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58092385 _cell_length_b 5.58092385 _cell_length_c 2.70827628 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.22113169 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCuMo2 _chemical_formula_sum 'La1 Cu1 Mo2' _cell_volume 73.61919750 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 2.82324818 0.00000000 0.00000000 1 Mo Mo2 1 1.41162409 -2.40707191 1.35413814 1 Mo Mo3 1 1.41162409 2.40707191 1.35413814 1 [/CIF]
CuLaMo2
Cmmm
65
orthorhombic
mmm
8,895.359566
false
[CIF] data_Ba2SrTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.32688947 _cell_length_b 6.32688947 _cell_length_c 6.32688947 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2SrTe _chemical_formula_sum 'Ba2 Sr1 Te1' _cell_volume 179.08357071 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.71067968 6.71067967 6.71067968 1 Ba Ba1 1 2.23689323 2.23689322 2.23689322 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 4.47378645 4.47378645 4.47378645 1 [/CIF]
Ba2SrTe
Fm-3m
225
cubic
m-3m
4,542.320167
false
[CIF] data_TiNb2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78224270 _cell_length_b 2.78224270 _cell_length_c 9.13864292 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiNb2Ag _chemical_formula_sum 'Ti1 Nb2 Ag1' _cell_volume 70.74108741 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.56932146 1 Nb Nb1 1 1.39112135 1.39112135 6.90597339 1 Nb Nb2 1 1.39112135 1.39112135 2.23266953 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgNb2Ti
P4/mmm
123
tetragonal
4/mmm
8,017.317113
false
[CIF] data_ReHgRhAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56308327 _cell_length_b 4.56308327 _cell_length_c 4.56308327 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReHgRhAu _chemical_formula_sum 'Re1 Hg1 Rh1 Au1' _cell_volume 67.18312224 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.83988068 4.83988068 4.83988068 1 Hg Hg1 1 1.61329356 1.61329356 1.61329356 1 Re Re2 1 3.22658712 3.22658712 3.22658712 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuHgReRh
F-43m
216
cubic
-43m
16,972.131942
false
[CIF] data_LaB2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34425043 _cell_length_b 4.34425043 _cell_length_c 4.34425043 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaB2Rh _chemical_formula_sum 'La1 B2 Rh1' _cell_volume 57.97350543 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53592447 1.53592447 1.53592447 1 B B1 1 4.60777341 4.60777341 4.60777341 1 La La2 1 3.07184894 3.07184894 3.07184894 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2LaRh
Fm-3m
225
cubic
m-3m
7,545.528511
false
[CIF] data_Tl2GaAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61668015 _cell_length_b 3.61668015 _cell_length_c 8.07103764 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2GaAs _chemical_formula_sum 'Tl2 Ga1 As1' _cell_volume 105.57220145 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.80834008 1.80834008 4.53971622 1 Ga Ga1 1 0.00000000 0.00000000 5.55779884 1 Tl Tl2 1 1.80834008 1.80834008 7.69560880 1 Tl Tl3 1 0.00000000 0.00000000 2.38447023 1 [/CIF]
AsGaTl2
P4mm
99
tetragonal
4mm
8,704.572841
false
[CIF] data_TiMnAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97510664 _cell_length_b 3.97510664 _cell_length_c 4.17126397 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiMnAg2 _chemical_formula_sum 'Ti1 Mn1 Ag2' _cell_volume 65.91211416 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.98755332 2.08563199 1 Ag Ag1 1 1.98755332 0.00000000 2.08563199 1 Mn Mn2 1 1.98755332 1.98755332 0.00000000 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2MnTi
P4/mmm
123
tetragonal
4/mmm
8,025.08796
false
[CIF] data_HgBiIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20718864 _cell_length_b 3.76733825 _cell_length_c 6.22202206 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgBiIr2 _chemical_formula_sum 'Hg1 Bi1 Ir2' _cell_volume 75.17798236 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.11101103 1 Hg Hg1 1 0.00000000 0.00000000 0.00000000 1 Ir Ir2 1 1.60359432 1.88366912 1.50549072 1 Ir Ir3 1 1.60359432 1.88366912 4.71653133 1 [/CIF]
BiHgIr2
Pmmm
47
orthorhombic
mmm
17,538.12653
false
[CIF] data_GeAuCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.05855123 _cell_length_b 6.05855123 _cell_length_c 6.05855123 _cell_angle_alpha 148.04944634 _cell_angle_beta 148.04944634 _cell_angle_gamma 45.81237837 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeAuCl _chemical_formula_sum 'Ge1 Au1 Cl1' _cell_volume 62.06711914 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 -0.00000000 0.00000000 0.19794430 1 Cl Cl1 1 -0.00000000 0.00000000 3.66909577 1 Ge Ge2 1 -0.00000000 0.00000000 7.29454849 1 [/CIF]
AuClGe
I4mm
107
tetragonal
4mm
8,161.540909
false
[CIF] data_LiInCuRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39492281 _cell_length_b 4.39492281 _cell_length_c 4.39492281 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiInCuRe _chemical_formula_sum 'Li1 In1 Cu1 Re1' _cell_volume 60.02591055 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.10767972 3.10767972 3.10767972 1 In In1 1 4.66151958 4.66151958 4.66151958 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 1.55383986 1.55383986 1.55383986 1 [/CIF]
CuInLiRe
F-43m
216
cubic
-43m
10,277.398277
false
[CIF] data_Zr2OsBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90953658 _cell_length_b 4.90953658 _cell_length_c 3.18511827 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 93.38084738 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2OsBr _chemical_formula_sum 'Zr2 Os1 Br1' _cell_volume 76.63904015 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 3.36764743 0.00000000 0.00000000 1 Zr Zr2 1 1.68382372 -1.78623208 1.59255913 1 Zr Zr3 1 1.68382372 1.78623208 1.59255913 1 [/CIF]
BrOsZr2
Cmmm
65
orthorhombic
mmm
9,806.100002
false
[CIF] data_YNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51150191 _cell_length_b 3.51150191 _cell_length_c 8.06886094 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YNb _chemical_formula_sum 'Y2 Nb2' _cell_volume 99.49426516 _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 Nb Nb0 1 1.75575095 0.00000000 0.63213191 1 Nb Nb1 1 0.00000000 1.75575095 7.43672903 1 Y Y2 1 1.75575095 0.00000000 5.43228268 1 Y Y3 1 0.00000000 1.75575095 2.63657826 1 [/CIF]
Nb2Y2
P4/nmm
129
tetragonal
4/mmm
6,068.818343
false
[CIF] data_Sc2CdAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94605779 _cell_length_b 4.94605779 _cell_length_c 4.94605779 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2CdAg _chemical_formula_sum 'Sc2 Cd1 Ag1' _cell_volume 85.55838141 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sc Sc0 1 5.24608650 5.24608650 5.24608650 1 Sc Sc1 1 1.74869550 1.74869550 1.74869550 1 Cd Cd2 1 3.49739100 3.49739100 3.49739100 1 Ag Ag3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgCdSc2
Fm-3m
225
cubic
m-3m
6,020.267155
false
[CIF] data_AgHgRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56714756 _cell_length_b 4.56714756 _cell_length_c 4.56714756 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgHgRu2 _chemical_formula_sum 'Ag1 Hg1 Ru2' _cell_volume 67.36280026 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 3.22946101 3.22946101 3.22946101 1 Ru Ru2 1 4.84419152 4.84419152 4.84419152 1 Ru Ru3 1 1.61473051 1.61473051 1.61473051 1 [/CIF]
AgHgRu2
Fm-3m
225
cubic
m-3m
12,586.594607
false
[CIF] data_LaHf2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40052698 _cell_length_b 4.82340047 _cell_length_c 5.83434824 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.50219020 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaHf2Cu _chemical_formula_sum 'La1 Hf2 Cu1' _cell_volume 92.64653704 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.54548544 2.41170024 1.23216943 1 Hf Hf2 1 -0.60597852 2.41170024 4.41628521 1 La La3 1 0.96975346 0.00000000 2.82422732 1 [/CIF]
CuHf2La
P2/m
10
monoclinic
2/m
10,026.902685
false
[CIF] data_NbSb2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17956465 _cell_length_b 4.94840564 _cell_length_c 4.84977448 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbSb2Os _chemical_formula_sum 'Nb1 Sb2 Os1' _cell_volume 76.30526343 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.33615639 1 Os Os1 1 1.58978232 2.47420282 1.29752830 1 Sb Sb2 1 1.58978232 0.00000000 0.00117665 1 Sb Sb3 1 0.00000000 2.47420282 3.63980031 1 [/CIF]
NbOsSb2
Pmm2
25
orthorhombic
mm2
11,460.985928
false
[CIF] data_SrHfSnPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06222474 _cell_length_b 5.06222474 _cell_length_c 5.06222474 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrHfSnPt _chemical_formula_sum 'Sr1 Hf1 Sn1 Pt1' _cell_volume 91.72955096 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.78976672 1.78976672 1.78976672 1 Pt Pt1 1 5.36930016 5.36930016 5.36930016 1 Sn Sn2 1 3.57953344 3.57953344 3.57953344 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfPtSnSr
F-43m
216
cubic
-43m
10,497.74295
false