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_GaFeSnBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06983509 _cell_length_b 5.06983509 _cell_length_c 5.06983509 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaFeSnBi _chemical_formula_sum 'Ga1 Fe1 Sn1 Bi1' _cell_volume 92.14388104 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.58491477 3.58491477 3.58491477 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Ga Ga2 1 5.37737215 5.37737215 5.37737215 1 Sn Sn3 1 1.79245738 1.79245738 1.79245738 1 [/CIF]
BiFeGaSn
F-43m
216
cubic
-43m
8,168.23941
false
[CIF] data_MgBi2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.66855064 _cell_length_b 7.66855064 _cell_length_c 7.66855064 _cell_angle_alpha 154.25559041 _cell_angle_beta 138.32547153 _cell_angle_gamma 49.63350460 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBi2Cl _chemical_formula_sum 'Mg1 Bi2 Cl1' _cell_volume 129.74582041 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.72781759 5.67336903 1 Bi Bi1 1 -0.00000000 -0.00000000 4.07177282 1 Cl Cl2 1 0.00000000 2.72781759 1.24686864 1 Mg Mg3 1 0.00000000 0.00000000 9.88917988 1 [/CIF]
Bi2ClMg
Imm2
44
orthorhombic
mm2
6,114.036874
false
[CIF] data_GeRuCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79499895 _cell_length_b 4.79499895 _cell_length_c 3.20146570 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.08418802 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeRuCl2 _chemical_formula_sum 'Ge1 Ru1 Cl2' _cell_volume 73.55945312 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66417559 -1.72583990 1.60073285 1 Cl Cl1 1 1.66417559 1.72583990 1.60073285 1 Ge Ge2 1 0.00000000 0.00000000 0.00000000 1 Ru Ru3 1 3.32835118 0.00000000 0.00000000 1 [/CIF]
Cl2GeRu
Cmmm
65
orthorhombic
mmm
5,521.988094
false
[CIF] data_TiCdCuS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65533232 _cell_length_b 4.65533232 _cell_length_c 4.65533232 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCdCuS _chemical_formula_sum 'Ti1 Cd1 Cu1 S1' _cell_volume 71.34065077 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.93772558 4.93772558 4.93772557 1 Cu Cu1 1 1.64590853 1.64590853 1.64590853 1 S S2 1 0.00000000 0.00000000 0.00000000 1 Ti Ti3 1 3.29181705 3.29181705 3.29181705 1 [/CIF]
CdCuSTi
F-43m
216
cubic
-43m
5,956.122864
false
[CIF] data_MnNbMo4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19124371 _cell_length_b 5.19124371 _cell_length_c 5.19124371 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnNbMo4 _chemical_formula_sum 'Mn1 Nb1 Mo4' _cell_volume 98.92345038 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 4.58510893 4.58510893 2.75641833 1 Mo Mo2 1 4.58510893 2.75641833 4.58510893 1 Mo Mo3 1 2.75641833 4.58510893 4.58510893 1 Mo Mo4 1 2.75641833 2.75641833 2.75641833 1 Nb Nb5 1 5.50614545 5.50614545 5.50614544 1 [/CIF]
MnMo4Nb
F-43m
216
cubic
-43m
8,924.908659
false
[CIF] data_Ba2CaOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09913620 _cell_length_b 5.09913620 _cell_length_c 5.00894493 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2CaOs _chemical_formula_sum 'Ba2 Ca1 Os1' _cell_volume 130.23852876 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 2.54956810 0.00000000 2.50447247 1 Ba Ba1 1 0.00000000 2.54956810 2.50447247 1 Ca Ca2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 2.54956810 2.54956810 0.00000000 1 [/CIF]
Ba2CaOs
P4/mmm
123
tetragonal
4/mmm
6,438.257067
false
[CIF] data_NbPdW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37023440 _cell_length_b 4.37023440 _cell_length_c 4.37023440 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbPdW _chemical_formula_sum 'Nb1 Pd1 W1' _cell_volume 59.01999876 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 0.00000000 0.00000000 1 Pd Pd1 1 1.54511119 1.54511119 1.54511119 1 W W2 1 4.63533357 4.63533357 4.63533357 1 [/CIF]
NbPdW
F-43m
216
cubic
-43m
10,780.460122
false
[CIF] data_K2LiSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.68953496 _cell_length_b 5.68953496 _cell_length_c 5.68953496 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2LiSi _chemical_formula_sum 'K2 Li1 Si1' _cell_volume 130.23128102 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 6.03466313 6.03466313 6.03466313 1 K K1 1 2.01155437 2.01155437 2.01155437 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Si Si3 1 4.02310875 4.02310875 4.02310875 1 [/CIF]
K2LiSi
Fm-3m
225
cubic
m-3m
1,443.672974
false
[CIF] data_YCuB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17440975 _cell_length_b 4.17440975 _cell_length_c 4.17440975 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCuB2 _chemical_formula_sum 'Y1 Cu1 B2' _cell_volume 51.43636030 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.47587672 1.47587672 1.47587672 1 B B1 1 4.42763016 4.42763016 4.42763016 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 2.95175344 2.95175344 2.95175344 1 [/CIF]
B2CuY
Fm-3m
225
cubic
m-3m
5,619.69056
false
[CIF] data_Na2TiBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77371915 _cell_length_b 4.77371915 _cell_length_c 4.77371915 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2TiBe _chemical_formula_sum 'Na2 Ti1 Be1' _cell_volume 76.92289057 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Na Na1 1 3.37552918 3.37552918 3.37552918 1 Na Na2 1 1.68776459 1.68776459 1.68776459 1 Ti Ti3 1 5.06329377 5.06329377 5.06329377 1 [/CIF]
BeNa2Ti
F-43m
216
cubic
-43m
2,220.417389
false
[CIF] data_KSnOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.35979747 _cell_length_b 7.35979747 _cell_length_c 7.35979747 _cell_angle_alpha 154.51808388 _cell_angle_beta 154.51808388 _cell_angle_gamma 36.34701378 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSnOs _chemical_formula_sum 'K1 Sn1 Os1' _cell_volume 73.69244296 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 13.88058123 1 Os Os1 1 -0.00000000 0.00000000 4.29383446 1 Sn Sn2 1 0.00000000 -0.00000000 9.79624055 1 [/CIF]
KOsSn
I4mm
107
tetragonal
4mm
7,842.475708
false
[CIF] data_KNa2Hf _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.33268702 _cell_length_b 3.33268702 _cell_length_c 11.70690089 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNa2Hf _chemical_formula_sum 'K1 Na2 Hf1' _cell_volume 130.02623927 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.85345045 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Na Na2 1 1.66634351 1.66634351 3.35220340 1 Na Na3 1 1.66634351 1.66634351 8.35469749 1 [/CIF]
HfKNa2
P4/mmm
123
tetragonal
4/mmm
3,365.972092
false
[CIF] data_CaLaTcOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85644198 _cell_length_b 4.85644198 _cell_length_c 4.85644198 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaLaTcOs _chemical_formula_sum 'Ca1 La1 Tc1 Os1' _cell_volume 80.99153261 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 La La1 1 5.15103459 5.15103459 5.15103459 1 Os Os2 1 1.71701153 1.71701153 1.71701153 1 Tc Tc3 1 3.43402306 3.43402306 3.43402306 1 [/CIF]
CaLaOsTc
F-43m
216
cubic
-43m
9,597.682311
false
[CIF] data_Li2MgCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12201588 _cell_length_b 5.12201588 _cell_length_c 2.66505225 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 118.12336607 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2MgCo _chemical_formula_sum 'Li2 Mg1 Co1' _cell_volume 61.66290804 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.63330506 0.00000000 0.00000000 1 Li Li1 1 1.31665253 -2.19663100 1.33252612 1 Li Li2 1 1.31665253 2.19663101 1.33252612 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CoLi2Mg
Cmmm
65
orthorhombic
mmm
2,615.379052
false
[CIF] data_CuP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86122761 _cell_length_b 4.86122761 _cell_length_c 4.86122761 _cell_angle_alpha 104.98344308 _cell_angle_beta 104.98344308 _cell_angle_gamma 118.87629814 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuP2 _chemical_formula_sum 'Cu2 P4' _cell_volume 86.62025105 _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 Cu Cu0 1 0.00000000 -0.00000000 3.70766946 1 Cu Cu1 1 0.00000000 0.00000000 1.23588982 1 P P2 1 0.76552437 2.19436070 0.00000000 1 P P3 1 2.19436070 0.76552437 2.47177964 1 P P4 1 3.72540944 0.76552437 0.00000000 1 P P5 1 -0.76552437 2.19436070 2.47177964 1 [/CIF]
Cu2P4
I4/mcm
140
tetragonal
4/mmm
4,811.505316
false
[CIF] data_Cd2IrBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23170494 _cell_length_b 4.86402781 _cell_length_c 5.08916689 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2IrBr _chemical_formula_sum 'Cd2 Ir1 Br1' _cell_volume 79.99713692 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.94449940 1 Cd Cd1 1 1.61585247 2.43201391 0.32665164 1 Cd Cd2 1 1.61585247 0.00000000 3.38142737 1 Ir Ir3 1 0.00000000 2.43201391 2.98117193 1 [/CIF]
BrCd2Ir
Pmm2
25
orthorhombic
mm2
10,315.292743
false
[CIF] data_Na2GeB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82807528 _cell_length_b 2.82807528 _cell_length_c 8.85760027 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2GeB _chemical_formula_sum 'Na2 Ge1 B1' _cell_volume 70.84317367 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 0.00000000 0.00000000 4.42880014 1 Na Na2 1 1.41403764 1.41403764 6.96917522 1 Na Na3 1 1.41403764 1.41403764 1.88842505 1 [/CIF]
BGeNa2
P4/mmm
123
tetragonal
4/mmm
3,033.806287
false
[CIF] data_Sn5(PRh3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.96857456 _cell_length_b 6.96857456 _cell_length_c 5.65049338 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn5(PRh3)2 _chemical_formula_sum 'Sn5 P2 Rh6' _cell_volume 237.63198987 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.82524669 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 1.88829751 0.00000000 4.24958780 1 Rh Rh3 1 -0.94414875 1.63531361 4.24958780 1 Rh Rh4 1 2.54013853 4.39964899 4.24958780 1 Rh Rh5 1 1.88829751 0.00000000 1.40090558 1 Rh Rh6 1 -0.94414875 1.63531361 1.40090558 1 Rh Rh7 1 2.54013853 4.39964899 1.40090558 1 Sn Sn8 1 0.00000000 4.02330840 0.00000000 1 Sn Sn9 1 3.48428728 2.01165420 0.00000000 1 Sn Sn10 1 -2.08922799 3.61864903 2.82524669 1 Sn Sn11 1 1.39505929 2.41631357 2.82524669 1 Sn Sn12 1 4.17845598 0.00000000 2.82524669 1 [/CIF]
P2Rh6Sn5
P-62m
189
hexagonal
-6m2
8,895.060239
false
[CIF] data_Hg5C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.86142540 _cell_length_b 5.86142540 _cell_length_c 6.00574962 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg5C _chemical_formula_sum 'Hg5 C1' _cell_volume 178.69168257 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 2.93071270 1.69204777 0.00000000 1 Hg Hg2 1 -0.00000000 3.38409553 0.00000000 1 Hg Hg3 1 -1.46535635 2.53807165 3.00287481 1 Hg Hg4 1 1.46535635 2.53807165 3.00287481 1 Hg Hg5 1 2.93071270 0.00000000 3.00287481 1 [/CIF]
CHg5
P6/mmm
191
hexagonal
6/mmm
9,431.787026
false
[CIF] data_LaFe2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00170395 _cell_length_b 3.07393357 _cell_length_c 7.10010751 _cell_angle_alpha 90.00000000 _cell_angle_beta 96.77414253 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaFe2W _chemical_formula_sum 'La1 Fe2 W1' _cell_volume 65.05560919 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.01515317 1.53696678 4.85629176 1 Fe Fe1 1 1.14905168 1.53696678 2.19424878 1 La La2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 -0.41874955 0.00000000 3.52527027 1 [/CIF]
Fe2LaW
P2/m
10
monoclinic
2/m
11,088.929591
false
[CIF] data_NbCo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.63202935 _cell_length_b 3.63202935 _cell_length_c 3.63202935 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCo3 _chemical_formula_sum 'Nb1 Co3' _cell_volume 47.91241333 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 1.81601467 0.00000000 1.81601467 1 Co Co1 1 1.81601467 1.81601467 0.00000000 1 Co Co2 1 0.00000000 1.81601467 1.81601467 1 Nb Nb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co12Nb4
Pm-3m
221
cubic
m-3m
9,347.419241
false
[CIF] data_Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26447104 _cell_length_b 3.26447104 _cell_length_c 3.26447104 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi _chemical_formula_sum Bi1 _cell_volume 34.78872072 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi3
Pm-3m
221
cubic
m-3m
9,975.18963
false
[CIF] data_Ca2BiPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24514086 _cell_length_b 5.24514086 _cell_length_c 5.24514086 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2BiPd _chemical_formula_sum 'Ca2 Bi1 Pd1' _cell_volume 102.03671526 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 1.85443734 1.85443734 1.85443734 1 Ca Ca1 1 5.56331201 5.56331201 5.56331201 1 Ca Ca2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 3.70887467 3.70887467 3.70887467 1 [/CIF]
BiCa2Pd
F-43m
216
cubic
-43m
6,437.259898
false
[CIF] data_TlGaSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88881198 _cell_length_b 4.88881198 _cell_length_c 4.88881198 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlGaSi2 _chemical_formula_sum 'Tl1 Ga1 Si2' _cell_volume 82.62186727 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Si Si1 1 1.72845605 1.72845605 1.72845605 1 Si Si2 1 5.18536815 5.18536815 5.18536815 1 Tl Tl3 1 3.45691210 3.45691210 3.45691210 1 [/CIF]
GaSi2Tl
Fm-3m
225
cubic
m-3m
6,637.932276
false
[CIF] data_BeBi2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80393216 _cell_length_b 4.80393216 _cell_length_c 3.54026173 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeBi2Mo _chemical_formula_sum 'Be1 Bi2 Mo1' _cell_volume 81.70132540 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Bi Bi1 1 0.00000000 2.40196608 1.77013087 1 Bi Bi2 1 2.40196608 0.00000000 1.77013087 1 Mo Mo3 1 2.40196608 2.40196608 0.00000000 1 [/CIF]
BeBi2Mo
P4/mmm
123
tetragonal
4/mmm
10,628.354455
false
[CIF] data_ZrAl2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33206671 _cell_length_b 5.33206671 _cell_length_c 3.21144605 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.21005399 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAl2Pb _chemical_formula_sum 'Zr1 Al2 Pb1' _cell_volume 85.11948415 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.50602786 2.19991225 1.60572302 1 Al Al1 1 1.50602786 -2.19991225 1.60572302 1 Pb Pb2 1 3.01205573 0.00000000 0.00000000 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2PbZr
Cmmm
65
orthorhombic
mmm
6,874.483722
false
[CIF] data_Ba2NaPa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.22797296 _cell_length_b 6.22797296 _cell_length_c 6.22797296 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2NaPa _chemical_formula_sum 'Ba2 Na1 Pa1' _cell_volume 170.81466628 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 2.20192096 2.20192096 2.20192096 1 Ba Ba1 1 6.60576287 6.60576287 6.60576287 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Pa Pa3 1 4.40384191 4.40384191 4.40384191 1 [/CIF]
Ba2NaPa
Fm-3m
225
cubic
m-3m
5,139.448681
false
[CIF] data_TaGePd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48433913 _cell_length_b 4.48433913 _cell_length_c 4.48433913 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaGePd2 _chemical_formula_sum 'Ta1 Ge1 Pd2' _cell_volume 63.76470418 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 1.58545330 1.58545330 1.58545330 1 Pd Pd2 1 3.17090661 3.17090661 3.17090661 1 Ta Ta3 1 4.75635991 4.75635991 4.75635991 1 [/CIF]
GePd2Ta
F-43m
216
cubic
-43m
12,146.881779
false
[CIF] data_YMn2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39591345 _cell_length_b 3.39591345 _cell_length_c 6.75653367 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMn2Ag _chemical_formula_sum 'Y1 Mn2 Ag1' _cell_volume 77.91788785 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 3.37826684 1 Mn Mn1 1 1.69795673 1.69795673 4.82087657 1 Mn Mn2 1 1.69795673 1.69795673 1.93565710 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgMn2Y
P4/mmm
123
tetragonal
4/mmm
6,535.142973
false
[CIF] data_Sr2GaAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47734350 _cell_length_b 5.47734350 _cell_length_c 5.47734350 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2GaAs _chemical_formula_sum 'Sr2 Ga1 As1' _cell_volume 116.19700509 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.80960010 5.80960010 5.80960010 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 1.93653336 1.93653336 1.93653336 1 Sr Sr3 1 3.87306673 3.87306673 3.87306673 1 [/CIF]
AsGaSr2
F-43m
216
cubic
-43m
4,571.381807
false
[CIF] data_Zn2PSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08067431 _cell_length_b 3.08067431 _cell_length_c 7.27208007 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2PSe _chemical_formula_sum 'Zn2 P1 Se1' _cell_volume 69.01607008 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Se Se1 1 0.00000000 0.00000000 3.63604004 1 Zn Zn2 1 1.54033716 1.54033716 5.66861536 1 Zn Zn3 1 1.54033716 1.54033716 1.60346471 1 [/CIF]
PSeZn2
P4/mmm
123
tetragonal
4/mmm
5,791.13523
false
[CIF] data_Ba4ReCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.91561954 _cell_length_b 6.91561954 _cell_length_c 6.91561954 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba4ReCl _chemical_formula_sum 'Ba4 Re1 Cl1' _cell_volume 233.87202691 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.67829884 3.67829884 6.10186410 1 Ba Ba1 1 3.67829884 6.10186410 3.67829884 1 Ba Ba2 1 6.10186410 3.67829884 3.67829884 1 Ba Ba3 1 6.10186410 6.10186410 6.10186410 1 Cl Cl4 1 0.00000000 0.00000000 0.00000000 1 Re Re5 1 2.44504074 2.44504074 2.44504074 1 [/CIF]
Ba4ClRe
F-43m
216
cubic
-43m
5,474.029964
false
[CIF] data_CoHgBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.37052030 _cell_length_b 6.92224686 _cell_length_c 3.55436304 _cell_angle_alpha 82.73076816 _cell_angle_beta 68.69059513 _cell_angle_gamma 28.57863670 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoHgBr _chemical_formula_sum 'Co1 Hg1 Br1' _cell_volume 72.88181944 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.76443032 3.08549546 0.47777648 1 Co Co1 1 1.76443032 3.08549546 8.80018671 1 Hg Hg2 1 1.76443032 3.08549546 4.10923774 1 [/CIF]
BrCoHg
Fmm2
42
orthorhombic
mm2
7,733.507778
false
[CIF] data_NiSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21111791 _cell_length_b 3.21111791 _cell_length_c 6.48976924 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiSe _chemical_formula_sum 'Ni2 Se2' _cell_volume 66.91781629 _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 1.60555896 0.00000000 5.77558753 1 Ni Ni1 1 0.00000000 1.60555896 0.71418171 1 Se Se2 1 1.60555896 0.00000000 1.68896647 1 Se Se3 1 0.00000000 1.60555896 4.80080277 1 [/CIF]
Ni2Se2
P4/nmm
129
tetragonal
4/mmm
6,831.629034
false
[CIF] data_CdFe2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37709161 _cell_length_b 4.37709161 _cell_length_c 4.37709161 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdFe2W _chemical_formula_sum 'Cd1 Fe2 W1' _cell_volume 59.29825470 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.09507116 3.09507116 3.09507116 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Fe Fe2 1 4.64260674 4.64260674 4.64260674 1 W W3 1 1.54753558 1.54753558 1.54753558 1 [/CIF]
CdFe2W
F-43m
216
cubic
-43m
11,423.640894
false
[CIF] data_CrRh2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73007931 _cell_length_b 4.73007931 _cell_length_c 2.95539464 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 105.01614442 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrRh2Pb _chemical_formula_sum 'Cr1 Rh2 Pb1' _cell_volume 63.86505577 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 2.87896111 -0.00000000 0.00000000 1 Rh Rh2 1 1.43948056 -1.87651493 1.47769732 1 Rh Rh3 1 1.43948056 1.87651493 1.47769732 1 [/CIF]
CrPbRh2
Cmmm
65
orthorhombic
mmm
12,093.011377
false
[CIF] data_SrMn2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04210431 _cell_length_b 5.04210431 _cell_length_c 5.04210431 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMn2In _chemical_formula_sum 'Sr1 Mn2 In1' _cell_volume 90.64012183 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 3.56530615 3.56530615 3.56530615 1 Mn Mn1 1 5.34795923 5.34795923 5.34795923 1 Mn Mn2 1 1.78265308 1.78265308 1.78265308 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InMn2Sr
Fm-3m
225
cubic
m-3m
5,721.635596
false
[CIF] data_Cu2RePd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47278662 _cell_length_b 4.47278662 _cell_length_c 2.74776354 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2RePd _chemical_formula_sum 'Cu2 Re1 Pd1' _cell_volume 54.97126319 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.23639331 0.00000000 1.37388177 1 Cu Cu1 1 0.00000000 2.23639331 1.37388177 1 Pd Pd2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 2.23639331 2.23639331 0.00000000 1 [/CIF]
Cu2PdRe
P4/mmm
123
tetragonal
4/mmm
12,678.62072
false
[CIF] data_VTePb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18010676 _cell_length_b 5.18010676 _cell_length_c 3.69599248 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VTePb2 _chemical_formula_sum 'V1 Te1 Pb2' _cell_volume 99.17643655 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 0.00000000 2.59005338 1.84799624 1 Pb Pb1 1 2.59005338 0.00000000 1.84799624 1 Te Te2 1 2.59005338 2.59005338 0.00000000 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pb2TeV
P4/mmm
123
tetragonal
4/mmm
9,927.786873
false
[CIF] data_GeW2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49706478 _cell_length_b 4.49706478 _cell_length_c 4.49706478 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeW2Au _chemical_formula_sum 'Ge1 W2 Au1' _cell_volume 64.30910010 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.17990500 3.17990500 3.17990500 1 Ge Ge1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 4.76985750 4.76985750 4.76985750 1 W W3 1 1.58995250 1.58995250 1.58995250 1 [/CIF]
AuGeW2
Fm-3m
225
cubic
m-3m
16,455.513181
false
[CIF] data_CoHgRuPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73619251 _cell_length_b 4.73619251 _cell_length_c 4.73619251 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoHgRuPb _chemical_formula_sum 'Co1 Hg1 Ru1 Pb1' _cell_volume 75.12302056 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 3.34899384 3.34899384 3.34899384 1 Pb Pb2 1 1.67449692 1.67449692 1.67449692 1 Ru Ru3 1 5.02349076 5.02349076 5.02349076 1 [/CIF]
CoHgPbRu
F-43m
216
cubic
-43m
12,550.650586
false
[CIF] data_P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.64145158 _cell_length_b 2.64145158 _cell_length_c 2.64145158 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural P _chemical_formula_sum P1 _cell_volume 14.18750642 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 [/CIF]
P
Im-3m
229
cubic
m-3m
3,625.241838
false
[CIF] data_TaAlBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93523366 _cell_length_b 4.93523366 _cell_length_c 3.00180860 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaAlBi _chemical_formula_sum 'Ta1 Al1 Bi1' _cell_volume 63.31827391 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 2.81759553 1 Bi Bi1 1 2.46761683 1.42467924 0.87003421 1 Ta Ta2 1 0.00000000 2.84935848 2.31598746 1 [/CIF]
AlBiTa
P3m1
156
trigonal
3m
10,933.574117
false
[CIF] data_TcPtCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91882830 _cell_length_b 2.91882830 _cell_length_c 8.45756339 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcPtCl2 _chemical_formula_sum 'Tc1 Pt1 Cl2' _cell_volume 72.05470729 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.45941415 1.45941415 1.52968515 1 Cl Cl1 1 1.45941415 1.45941415 6.92787824 1 Pt Pt2 1 0.00000000 0.00000000 4.22878170 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cl2PtTc
P4/mmm
123
tetragonal
4/mmm
8,409.227074
false
[CIF] data_HfScReSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78490618 _cell_length_b 4.78490618 _cell_length_c 4.78490618 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfScReSn _chemical_formula_sum 'Hf1 Sc1 Re1 Sn1' _cell_volume 77.46495690 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 3.38343961 3.38343961 3.38343961 1 Re Re1 1 1.69171980 1.69171981 1.69171981 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 5.07515942 5.07515942 5.07515942 1 [/CIF]
HfReScSn
F-43m
216
cubic
-43m
11,325.989091
false
[CIF] data_PmNdNb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16036629 _cell_length_b 5.16036629 _cell_length_c 5.16036629 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PmNdNb2 _chemical_formula_sum 'Pm1 Nd1 Nb2' _cell_volume 97.16874462 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.47339500 5.47339500 5.47339500 1 Nb Nb1 1 1.82446500 1.82446500 1.82446500 1 Nd Nd2 1 -0.00000000 0.00000000 0.00000000 1 Pm Pm3 1 3.64893000 3.64893000 3.64893000 1 [/CIF]
Nb2NdPm
Fm-3m
225
cubic
m-3m
8,118.320257
false
[CIF] data_Y2AsAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91932704 _cell_length_b 4.17022344 _cell_length_c 4.17022344 _cell_angle_alpha 90.00755559 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2AsAu _chemical_formula_sum 'Y2 As1 Au1' _cell_volume 102.94161605 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.24777840 1 Au Au1 1 2.95966352 -0.00000000 5.12714016 1 Y Y2 1 0.00000000 0.00000000 5.19743479 1 Y Y3 1 2.95966352 0.00000000 2.18506793 1 [/CIF]
AsAuY2
Amm2
38
orthorhombic
mm2
7,254.060966
false
[CIF] data_NbAl2Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49549826 _cell_length_b 4.49549826 _cell_length_c 3.17685946 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbAl2Zn _chemical_formula_sum 'Nb1 Al2 Zn1' _cell_volume 64.20275589 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.24774913 1.58842973 1 Al Al1 1 2.24774913 0.00000000 1.58842973 1 Nb Nb2 1 2.24774913 2.24774913 0.00000000 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2NbZn
P4/mmm
123
tetragonal
4/mmm
5,489.616616
false
[CIF] data_TlSb2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19493247 _cell_length_b 3.19493247 _cell_length_c 9.85010136 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlSb2Os _chemical_formula_sum 'Tl1 Sb2 Os1' _cell_volume 100.54583031 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 0.00000000 0.00000000 0.00000000 1 Sb Sb1 1 1.59746623 1.59746623 1.71352994 1 Sb Sb2 1 1.59746623 1.59746623 8.13657142 1 Tl Tl3 1 0.00000000 0.00000000 4.92505068 1 [/CIF]
OsSb2Tl
P4/mmm
123
tetragonal
4/mmm
10,539.01397
false
[CIF] data_NbVPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44854403 _cell_length_b 3.44854403 _cell_length_c 9.60898313 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbVPb2 _chemical_formula_sum 'Nb1 V1 Pb2' _cell_volume 114.27440838 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.72427201 1.72427201 6.43608037 1 Pb Pb1 1 0.00000000 0.00000000 8.84580070 1 Pb Pb2 1 1.72427201 1.72427201 3.37879636 1 V V3 1 0.00000000 0.00000000 5.36178040 1 [/CIF]
NbPb2V
P4mm
99
tetragonal
4mm
8,111.986111
false
[CIF] data_LiSiTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99922753 _cell_length_b 4.99922753 _cell_length_c 3.81985411 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 100.56592700 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiSiTe2 _chemical_formula_sum 'Li1 Si1 Te2' _cell_volume 93.84816630 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Si Si1 1 3.19448922 -0.00000000 0.00000000 1 Te Te2 1 1.59724461 -1.92272688 1.90992705 1 Te Te3 1 1.59724461 1.92272687 1.90992705 1 [/CIF]
LiSiTe2
Cmmm
65
orthorhombic
mmm
5,135.235566
false
[CIF] data_LaTcCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.15523222 _cell_length_b 9.15523222 _cell_length_c 9.15523222 _cell_angle_alpha 21.94562972 _cell_angle_beta 21.94562972 _cell_angle_gamma 21.94562972 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTcCl2 _chemical_formula_sum 'La1 Tc1 Cl2' _cell_volume 93.95543189 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.63702055 1 Cl Cl1 1 0.00000000 0.00000000 20.15706673 1 La La2 1 -0.00000000 -0.00000000 13.39704364 1 Tc Tc3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
Cl2LaTc
R-3m
166
trigonal
-3m
5,456.180036
false
[CIF] data_GeAsSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.59255650 _cell_length_b 8.59255650 _cell_length_c 8.59255650 _cell_angle_alpha 161.15278890 _cell_angle_beta 161.15278890 _cell_angle_gamma 26.77699359 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeAsSe _chemical_formula_sum 'Ge1 As1 Se1' _cell_volume 66.18050080 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 16.27517759 1 Ge Ge1 1 -0.00000000 0.00000000 5.74222118 1 Se Se2 1 -0.00000000 0.00000000 11.41872634 1 [/CIF]
AsGeSe
I4mm
107
tetragonal
4mm
5,683.667571
false
[CIF] data_Na2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.88313427 _cell_length_b 7.88313427 _cell_length_c 4.30563520 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2Au _chemical_formula_sum 'Na6 Au3' _cell_volume 231.72116857 _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 Au Au0 1 0.00000000 4.55132969 2.15281760 1 Au Au1 1 3.94156713 2.27566485 2.15281760 1 Au Au2 1 0.00000000 0.00000000 0.00000000 1 Na Na3 1 2.03128729 0.00000000 2.15281760 1 Na Na4 1 -1.01564365 1.75914640 2.15281760 1 Na Na5 1 2.92592349 5.06784814 2.15281760 1 Na Na6 1 4.65024762 0.00000000 0.00000000 1 Na Na7 1 -2.32512381 4.02723257 0.00000000 1 Na Na8 1 1.61644332 2.79976196 0.00000000 1 [/CIF]
Au3Na6
P-62m
189
hexagonal
-6m2
5,222.9346
false
[CIF] data_NaZnAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19593881 _cell_length_b 4.19593881 _cell_length_c 4.34068551 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZnAs _chemical_formula_sum 'Na1 Zn1 As1' _cell_volume 66.18312122 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 2.09796942 1.21126319 3.58096740 1 Na Na1 1 0.00000000 0.00000000 1.45026301 1 Zn Zn2 1 0.00000002 2.42252639 3.65014061 1 [/CIF]
AsNaZn
P3m1
156
trigonal
3m
4,096.991698
false
[CIF] data_MnNb2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18378804 _cell_length_b 5.18378804 _cell_length_c 5.18378804 _cell_angle_alpha 135.01946708 _cell_angle_beta 135.01946708 _cell_angle_gamma 65.49995354 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnNb2Sn _chemical_formula_sum 'Mn1 Nb2 Sn1' _cell_volume 68.57107383 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 1.98293617 0.00000000 2.17988456 1 Nb Nb2 1 0.00000000 0.00000000 4.35976911 1 Sn Sn3 1 0.00000000 1.98293617 2.17988456 1 [/CIF]
MnNb2Sn
I-4m2
119
tetragonal
-42m
8,704.817882
false
[CIF] data_CaZr2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.85132126 _cell_length_b 9.85132126 _cell_length_c 9.85132126 _cell_angle_alpha 20.09012520 _cell_angle_beta 20.09012520 _cell_angle_gamma 20.09012520 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaZr2Ru _chemical_formula_sum 'Ca1 Zr2 Ru1' _cell_volume 98.69333733 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Ru Ru1 1 -0.00000000 -0.00000000 14.47416989 1 Zr Zr2 1 0.00000000 -0.00000000 22.33249287 1 Zr Zr3 1 0.00000000 -0.00000000 6.61584692 1 [/CIF]
CaRuZr2
R-3m
166
trigonal
-3m
5,444.580294
false
[CIF] data_Ba2TiCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25401556 _cell_length_b 5.25401556 _cell_length_c 4.35662644 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2TiCo _chemical_formula_sum 'Ba2 Ti1 Co1' _cell_volume 120.26327660 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.62700778 2.17831322 1 Ba Ba1 1 2.62700778 0.00000000 2.17831322 1 Co Co2 1 2.62700778 2.62700778 0.00000000 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba2CoTi
P4/mmm
123
tetragonal
4/mmm
5,266.941088
false
[CIF] data_LiTiTl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91162494 _cell_length_b 4.91162494 _cell_length_c 4.91162494 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTiTl2 _chemical_formula_sum 'Li1 Ti1 Tl2' _cell_volume 83.78390331 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ti Ti1 1 3.47304330 3.47304330 3.47304330 1 Tl Tl2 1 1.73652165 1.73652165 1.73652165 1 Tl Tl3 1 5.20956495 5.20956495 5.20956495 1 [/CIF]
LiTiTl2
Fm-3m
225
cubic
m-3m
9,187.728229
false
[CIF] data_BaLiZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54709384 _cell_length_b 5.54709384 _cell_length_c 5.54709384 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLiZn _chemical_formula_sum 'Ba1 Li1 Zn1' _cell_volume 120.69284947 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.96119384 1.96119384 1.96119384 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 3.92238767 3.92238767 3.92238767 1 [/CIF]
BaLiZn
F-43m
216
cubic
-43m
2,884.418553
false
[CIF] data_GaMoPdW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44743109 _cell_length_b 4.44743109 _cell_length_c 4.44743109 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaMoPdW _chemical_formula_sum 'Ga1 Mo1 Pd1 W1' _cell_volume 62.20319384 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.71721302 4.71721302 4.71721302 1 Pd Pd2 1 3.14480868 3.14480868 3.14480868 1 W W3 1 1.57240434 1.57240434 1.57240434 1 [/CIF]
GaMoPdW
F-43m
216
cubic
-43m
12,171.580219
false
[CIF] data_BaLaRePt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25383516 _cell_length_b 5.25383516 _cell_length_c 5.25383516 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLaRePt _chemical_formula_sum 'Ba1 La1 Re1 Pt1' _cell_volume 102.54496244 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 3.71502247 3.71502247 3.71502247 1 Pt Pt2 1 1.85751123 1.85751123 1.85751123 1 Re Re3 1 5.57253371 5.57253371 5.57253371 1 [/CIF]
BaLaPtRe
F-43m
216
cubic
-43m
10,647.460228
false
[CIF] data_CaTa4Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.52647916 _cell_length_b 5.52647916 _cell_length_c 5.52647916 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTa4Co _chemical_formula_sum 'Ca1 Ta4 Co1' _cell_volume 119.35225041 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Co Co1 1 1.95390545 1.95390545 1.95390544 1 Ta Ta2 1 2.92680314 2.92680314 4.88881864 1 Ta Ta3 1 2.92680314 4.88881864 2.92680314 1 Ta Ta4 1 4.88881864 2.92680314 2.92680314 1 Ta Ta5 1 4.88881864 4.88881864 4.88881864 1 [/CIF]
CaCoTa4
F-43m
216
cubic
-43m
11,447.593553
false
[CIF] data_ReTcW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24839316 _cell_length_b 4.24839316 _cell_length_c 4.24839316 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReTcW _chemical_formula_sum 'Re1 Tc1 W1' _cell_volume 54.21994889 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Re Re0 1 3.00406761 3.00406761 3.00406761 1 Tc Tc1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 4.50610141 4.50610141 4.50610141 1 [/CIF]
ReTcW
F-43m
216
cubic
-43m
14,362.151291
false
[CIF] data_B3PBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19886789 _cell_length_b 3.17694196 _cell_length_c 19.16458161 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B3PBr _chemical_formula_sum 'B12 P4 Br4' _cell_volume 316.53184176 _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 B B0 1 4.55411516 0.79423549 3.14859396 1 B B1 1 3.24418668 2.38270647 12.73088476 1 B B2 1 0.64475273 2.38270647 16.01598765 1 B B3 1 1.95468121 0.79423549 6.43369685 1 B B4 1 5.16067280 0.79423549 6.26984044 1 B B5 1 2.63762904 2.38270647 15.85213125 1 B B6 1 0.03819509 2.38270647 12.89474117 1 B B7 1 2.56123885 0.79423549 3.31245036 1 B B8 1 2.97574511 0.79423549 15.39169182 1 B B9 1 4.82255673 2.38270647 5.80940102 1 B B10 1 2.22312278 2.38270647 3.77288979 1 B B11 1 0.37631116 0.79423549 13.35518059 1 Br Br12 1 3.78680541 0.79423549 1.27754781 1 Br Br13 1 4.01149643 2.38270647 10.85983861 1 Br Br14 1 1.41206248 2.38270647 17.88703380 1 Br Br15 1 1.18737146 0.79423549 8.30474300 1 P P16 1 4.90955022 0.79423549 15.38271839 1 P P17 1 2.88875162 2.38270647 5.80042759 1 P P18 1 0.28931767 2.38270647 3.78186322 1 P P19 1 2.31011627 0.79423549 13.36415402 1 [/CIF]
B12Br4P4
Pnma
62
orthorhombic
mmm
3,007.256618
false
[CIF] data_Cu3P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03812232 _cell_length_b 4.03812232 _cell_length_c 7.21651790 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu3P _chemical_formula_sum 'Cu6 P2' _cell_volume 101.91010886 _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 Cu Cu0 1 0.00000000 0.00000000 1.42866264 1 Cu Cu1 1 0.00000000 0.00000000 5.78785526 1 Cu Cu2 1 0.00000000 2.33141101 4.33236753 1 Cu Cu3 1 2.01906116 1.16570550 2.88415037 1 Cu Cu4 1 0.00000000 2.33141101 6.88079589 1 Cu Cu5 1 2.01906116 1.16570550 0.33572201 1 P P6 1 0.00000000 2.33141101 1.98634092 1 P P7 1 2.01906116 1.16570550 5.23017697 1 [/CIF]
Cu6P2
P-3m1
164
trigonal
-3m
7,222.571528
false
[CIF] data_CdCo2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82828032 _cell_length_b 2.82828032 _cell_length_c 6.79975962 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdCo2Cu _chemical_formula_sum 'Cd1 Co2 Cu1' _cell_volume 54.39243023 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.41414016 1.41414016 5.13005974 1 Co Co1 1 0.00000000 0.00000000 0.32205130 1 Co Co2 1 1.41414016 1.41414016 1.59490817 1 Cu Cu3 1 0.00000000 0.00000000 3.15262022 1 [/CIF]
CdCo2Cu
P4mm
99
tetragonal
4mm
8,970.094106
false
[CIF] data_TaMnTcW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39372559 _cell_length_b 4.39372559 _cell_length_c 4.39372559 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaMnTcW _chemical_formula_sum 'Ta1 Mn1 Tc1 W1' _cell_volume 59.97686912 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ta Ta1 1 4.66024974 4.66024974 4.66024974 1 Tc Tc2 1 1.55341658 1.55341658 1.55341658 1 W W3 1 3.10683316 3.10683316 3.10683316 1 [/CIF]
MnTaTcW
F-43m
216
cubic
-43m
14,359.017359
false
[CIF] data_TaCdFeOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44711348 _cell_length_b 4.44711348 _cell_length_c 4.44711348 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCdFeOs _chemical_formula_sum 'Ta1 Cd1 Fe1 Os1' _cell_volume 62.18986845 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.14458410 3.14458410 3.14458410 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 1.57229205 1.57229205 1.57229205 1 Ta Ta3 1 4.71687615 4.71687615 4.71687615 1 [/CIF]
CdFeOsTa
F-43m
216
cubic
-43m
14,403.488123
false
[CIF] data_Re2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86078682 _cell_length_b 2.86078682 _cell_length_c 9.89552800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2C _chemical_formula_sum 'Re4 C2' _cell_volume 70.13593571 _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 C C0 1 0.00000000 1.65167604 2.47388200 1 C C1 1 1.43039341 0.82583802 7.42164600 1 Re Re2 1 0.00000000 1.65167604 6.01894167 1 Re Re3 1 1.43039341 0.82583802 1.07117767 1 Re Re4 1 1.43039341 0.82583802 3.87658633 1 Re Re5 1 -0.00000000 1.65167604 8.82435033 1 [/CIF]
C2Re4
P6_3/mmc
194
hexagonal
6/mmm
18,203.096818
false
[CIF] data_HfScTlRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81177493 _cell_length_b 4.81177493 _cell_length_c 4.81177493 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfScTlRe _chemical_formula_sum 'Hf1 Sc1 Tl1 Re1' _cell_volume 78.77726820 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 3.40243868 3.40243868 3.40243868 1 Re Re1 1 1.70121934 1.70121934 1.70121934 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 5.10365802 5.10365802 5.10365802 1 [/CIF]
HfReScTl
F-43m
216
cubic
-43m
12,943.214987
false
[CIF] data_FeBi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81477779 _cell_length_b 4.81477779 _cell_length_c 4.81477779 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeBi3 _chemical_formula_sum 'Fe1 Bi3' _cell_volume 111.61658879 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 2.40738889 2.40738889 0.00000000 1 Bi Bi1 1 2.40738889 0.00000000 2.40738889 1 Bi Bi2 1 0.00000000 2.40738889 2.40738889 1 Fe Fe3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi3Fe
Pm-3m
221
cubic
m-3m
10,157.926985
false
[CIF] data_ScTa2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35219021 _cell_length_b 5.35219021 _cell_length_c 2.88163105 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.08044060 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTa2Rh _chemical_formula_sum 'Sc1 Ta2 Rh1' _cell_volume 71.42980866 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.67284069 0.00000000 0.00000000 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 1.33642034 2.31850505 1.44081553 1 Ta Ta3 1 1.33642035 -2.31850505 1.44081553 1 [/CIF]
RhScTa2
Cmmm
65
orthorhombic
mmm
11,850.398517
false
[CIF] data_CaBeHgMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82369273 _cell_length_b 4.82369273 _cell_length_c 4.82369273 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaBeHgMo _chemical_formula_sum 'Ca1 Be1 Hg1 Mo1' _cell_volume 79.36406578 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Ca Ca1 1 5.11629876 5.11629876 5.11629876 1 Hg Hg2 1 1.70543292 1.70543292 1.70543292 1 Mo Mo3 1 3.41086584 3.41086584 3.41086584 1 [/CIF]
BeCaHgMo
F-43m
216
cubic
-43m
7,231.850076
false
[CIF] data_SrCr2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79097724 _cell_length_b 3.79097724 _cell_length_c 4.85750031 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCr2Rh _chemical_formula_sum 'Sr1 Cr2 Rh1' _cell_volume 69.80960667 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.89548862 2.42875015 1 Cr Cr1 1 1.89548862 0.00000000 2.42875015 1 Rh Rh2 1 1.89548862 1.89548862 0.00000000 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr2RhSr
P4/mmm
123
tetragonal
4/mmm
7,005.919853
false
[CIF] data_Ti2CoSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66403899 _cell_length_b 5.06972703 _cell_length_c 5.06972703 _cell_angle_alpha 38.95954755 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2CoSe _chemical_formula_sum 'Ti2 Co1 Se1' _cell_volume 59.21368917 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 -0.00000000 5.15147335 1 Se Se1 1 1.83201949 0.00000000 6.70670864 1 Ti Ti2 1 1.83201949 -0.00000000 9.32888282 1 Ti Ti3 1 0.00000000 0.00000000 2.71059600 1 [/CIF]
CoSeTi2
Amm2
38
orthorhombic
mm2
6,551.738389
false
[CIF] data_TaAsRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89998954 _cell_length_b 4.06167277 _cell_length_c 5.49509887 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.99960440 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaAsRh2 _chemical_formula_sum 'Ta1 As1 Rh2' _cell_volume 62.52035788 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.87141127 0.00000000 3.95895702 1 Rh Rh1 1 0.95698604 2.03083639 5.25498577 1 Rh Rh2 1 0.93869646 0.00000000 1.39303603 1 Ta Ta3 1 -0.52261368 2.03083639 2.66269052 1 [/CIF]
AsRh2Ta
Pm
6
monoclinic
m
12,262.221449
false
[CIF] data_MgHg4Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.67379697 _cell_length_b 5.67379697 _cell_length_c 5.67379697 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgHg4Os _chemical_formula_sum 'Mg1 Hg4 Os1' _cell_volume 129.15355787 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 3.01146710 3.01146710 5.01249352 1 Hg Hg1 1 3.01146710 5.01249352 3.01146710 1 Hg Hg2 1 5.01249352 3.01146710 3.01146710 1 Hg Hg3 1 5.01249352 5.01249352 5.01249352 1 Mg Mg4 1 0.00000000 0.00000000 0.00000000 1 Os Os5 1 2.00599016 2.00599016 2.00599016 1 [/CIF]
Hg4MgOs
F-43m
216
cubic
-43m
13,074.311711
false
[CIF] data_Ta2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38538817 _cell_length_b 5.38538817 _cell_length_c 6.52956123 _cell_angle_alpha 108.31366353 _cell_angle_beta 108.31366353 _cell_angle_gamma 34.73730102 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2Re _chemical_formula_sum 'Ta4 Re2' _cell_volume 101.89160999 _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 Re Re0 1 0.46862501 -0.00000000 3.59562420 1 Re Re1 1 7.66131410 -0.00000000 2.56991124 1 Ta Ta2 1 3.54355107 -0.00000000 4.57251593 1 Ta Ta3 1 4.58638804 0.00000000 1.59301951 1 Ta Ta4 1 1.55386721 -0.00000000 0.56341597 1 Ta Ta5 1 6.57607189 -0.00000000 5.60211947 1 [/CIF]
Re2Ta4
C2/m
12
monoclinic
2/m
17,864.985068
false
[CIF] data_YZnIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.93313128 _cell_length_b 9.93313128 _cell_length_c 9.93313128 _cell_angle_alpha 19.97193105 _cell_angle_beta 19.97193105 _cell_angle_gamma 19.97193105 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZnIn2 _chemical_formula_sum 'Y1 Zn1 In2' _cell_volume 100.02225506 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 0.00000000 -0.00000000 7.54822727 1 In In1 1 -0.00000000 -0.00000000 21.64767785 1 Y Y2 1 0.00000000 -0.00000000 14.59795256 1 Zn Zn3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
In2YZn
R-3m
166
trigonal
-3m
6,373.753822
false
[CIF] data_Ga2NiGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95298455 _cell_length_b 3.95298455 _cell_length_c 3.95693633 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2NiGe _chemical_formula_sum 'Ga2 Ni1 Ge1' _cell_volume 61.83143076 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.97649228 1.97846817 1 Ga Ga1 1 1.97649228 0.00000000 1.97846817 1 Ge Ge2 1 1.97649228 1.97649228 0.00000000 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ga2GeNi
P4/mmm
123
tetragonal
4/mmm
7,272.026
false
[CIF] data_Mg2ZrCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08612661 _cell_length_b 5.76935794 _cell_length_c 5.14206220 _cell_angle_alpha 90.00000000 _cell_angle_beta 93.89764480 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2ZrCl _chemical_formula_sum 'Mg2 Zr1 Cl1' _cell_volume 91.34250021 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 1.97209979 2.88467897 3.81913533 1 Mg Mg2 1 0.76449885 2.88467897 1.31103367 1 Zr Zr3 1 -0.17476399 0.00000000 2.56508450 1 [/CIF]
ClMg2Zr
P2/m
10
monoclinic
2/m
3,186.587959
false
[CIF] data_YTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.67965559 _cell_length_b 4.23024684 _cell_length_c 7.32195941 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTe _chemical_formula_sum 'Y4 Te4' _cell_volume 237.86731499 _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 Te Te0 1 1.89163917 3.17268513 6.70783395 1 Te Te1 1 1.94818862 1.05756171 3.04685424 1 Te Te2 1 5.73146697 3.17268513 4.27510517 1 Te Te3 1 5.78801642 1.05756171 0.61412546 1 Y Y4 1 0.00764740 3.17268513 1.85994492 1 Y Y5 1 3.83218039 1.05756171 5.52092463 1 Y Y6 1 3.84747520 3.17268513 1.80103478 1 Y Y7 1 7.67200819 1.05756171 5.46201449 1 [/CIF]
Te4Y4
Pnma
62
orthorhombic
mmm
6,045.663265
false
[CIF] data_BeHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98485321 _cell_length_b 4.98485321 _cell_length_c 4.98485321 _cell_angle_alpha 51.76706934 _cell_angle_beta 51.76706934 _cell_angle_gamma 51.76706934 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeHg _chemical_formula_sum 'Be2 Hg2' _cell_volume 70.62273914 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 -0.00000000 -0.00000000 11.81408744 1 Be Be1 1 0.00000000 -0.00000000 1.10155062 1 Hg Hg2 1 0.00000000 0.00000000 9.41605086 1 Hg Hg3 1 -0.00000000 0.00000000 3.49958719 1 [/CIF]
Be2Hg2
R-3m
166
trigonal
-3m
9,856.672668
false
[CIF] data_BaFe2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.74529248 _cell_length_b 4.57794550 _cell_length_c 4.63814359 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaFe2Pt _chemical_formula_sum 'Ba1 Fe2 Pt1' _cell_volume 79.52442659 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.87264624 2.28897275 0.00000000 1 Fe Fe1 1 1.87264624 0.00000000 2.31907180 1 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 0.00000000 2.28897275 2.31907180 1 [/CIF]
BaFe2Pt
Pmmm
47
orthorhombic
mmm
9,273.214427
false
[CIF] data_AlCuNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.86810206 _cell_length_b 6.86810206 _cell_length_c 2.67678824 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCuNi _chemical_formula_sum 'Al3 Cu3 Ni3' _cell_volume 109.34983403 _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 Al Al0 1 3.43405103 1.98265029 1.33839412 1 Al Al1 1 -0.00000000 3.96530058 1.33839412 1 Al Al2 1 0.00000000 0.00000000 0.00000000 1 Cu Cu3 1 -2.39874981 4.15475654 1.33839412 1 Cu Cu4 1 1.03530123 1.79319432 1.33839412 1 Cu Cu5 1 4.79749961 0.00000000 1.33839412 1 Ni Ni6 1 -1.25620152 2.17580486 0.00000000 1 Ni Ni7 1 2.17784951 3.77214601 0.00000000 1 Ni Ni8 1 2.51240304 0.00000000 0.00000000 1 [/CIF]
Al3Cu3Ni3
P-62m
189
hexagonal
-6m2
6,798.019413
false
[CIF] data_Gd2PuCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01222014 _cell_length_b 5.01222014 _cell_length_c 5.01222014 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Gd2PuCo _chemical_formula_sum 'Gd2 Pu1 Co1' _cell_volume 89.03800380 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Gd Gd1 1 1.77208743 1.77208743 1.77208743 1 Gd Gd2 1 5.31626228 5.31626228 5.31626228 1 Pu Pu3 1 3.54417485 3.54417485 3.54417485 1 [/CIF]
CoGd2Pu
Fm-3m
225
cubic
m-3m
11,514.992448
false
[CIF] data_BaCdSb4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.46006063 _cell_length_b 6.46006063 _cell_length_c 6.46006063 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCdSb4 _chemical_formula_sum 'Ba1 Cd1 Sb4' _cell_volume 190.63155247 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 2.28397634 2.28397634 2.28397634 1 Cd Cd1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 3.38965075 3.38965075 5.74625461 1 Sb Sb3 1 5.74625461 5.74625461 5.74625461 1 Sb Sb4 1 5.74625461 3.38965075 3.38965075 1 Sb Sb5 1 3.38965075 5.74625461 3.38965075 1 [/CIF]
BaCdSb4
F-43m
216
cubic
-43m
6,417.870686
false
[CIF] data_ScTc2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04458138 _cell_length_b 3.04458138 _cell_length_c 7.66421587 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTc2Cl _chemical_formula_sum 'Sc1 Tc2 Cl1' _cell_volume 71.04326338 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.04986072 1 Sc Sc1 1 1.52229069 1.52229069 5.83241808 1 Tc Tc2 1 0.00000000 0.00000000 0.12058985 1 Tc Tc3 1 1.52229069 1.52229069 1.49345508 1 [/CIF]
ClScTc2
P4mm
99
tetragonal
4mm
6,503.042453
false
[CIF] data_LiBePd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69848053 _cell_length_b 4.69848053 _cell_length_c 4.12724498 _cell_angle_alpha 104.21806733 _cell_angle_beta 104.21806733 _cell_angle_gamma 34.88768123 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiBePd2 _chemical_formula_sum 'Li1 Be1 Pd2' _cell_volume 50.35653649 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.97155905 0.00000000 2.25896818 1 Li Li1 1 6.52406352 0.00000000 0.78331800 1 Pd Pd2 1 -0.05452934 -0.00000000 0.23180901 1 Pd Pd3 1 1.41225885 -0.00000000 2.70808322 1 [/CIF]
BeLiPd2
Cm
8
monoclinic
m
7,544.601821
false
[CIF] data_K4LiCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.91915438 _cell_length_b 7.91915438 _cell_length_c 7.91915438 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K4LiCl _chemical_formula_sum 'K4 Li1 Cl1' _cell_volume 351.17325220 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.79984388 2.79984388 2.79984388 1 K K1 1 4.20252438 4.20252438 6.99685114 1 K K2 1 4.20252438 6.99685114 4.20252438 1 K K3 1 6.99685114 4.20252438 4.20252438 1 K K4 1 6.99685114 6.99685114 6.99685114 1 Li Li5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
ClK4Li
F-43m
216
cubic
-43m
939.974527
false
[CIF] data_MoRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28816572 _cell_length_b 5.28816572 _cell_length_c 6.56683171 _cell_angle_alpha 103.49005337 _cell_angle_beta 103.49005337 _cell_angle_gamma 30.15344390 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoRh _chemical_formula_sum 'Mo3 Rh3' _cell_volume 89.51280311 _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 Mo Mo0 1 -1.48667683 0.00000000 6.34301528 1 Mo Mo1 1 3.52133652 -0.00000000 1.79553638 1 Mo Mo2 1 2.27347750 0.00000000 4.23747021 1 Rh Rh3 1 6.27064114 -0.00000000 2.12950577 1 Rh Rh4 1 -0.45827281 -0.00000000 3.88788134 1 Rh Rh5 1 5.92452014 -0.00000000 6.03377000 1 [/CIF]
Mo3Rh3
Cm
8
monoclinic
m
11,067.375401
false
[CIF] data_ZrReRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84986543 _cell_length_b 4.84986543 _cell_length_c 4.84986543 _cell_angle_alpha 130.87450083 _cell_angle_beta 130.87450083 _cell_angle_gamma 72.01254685 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrReRh2 _chemical_formula_sum 'Zr1 Re1 Rh2' _cell_volume 63.78380244 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.92331140 1 Rh Rh1 1 0.00000000 2.01603848 1.96165570 1 Rh Rh2 1 2.01603848 0.00000000 1.96165570 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
ReRh2Zr
I4/mmm
139
tetragonal
4/mmm
12,580.658238
false
[CIF] data_BeTc2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.63534637 _cell_length_b 2.63534637 _cell_length_c 8.32437085 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.48991264 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeTc2Ru _chemical_formula_sum 'Be1 Tc2 Ru1' _cell_volume 53.41630411 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 0.00000000 0.00000000 4.16218542 1 Tc Tc2 1 1.46431288 0.00000000 6.39549350 1 Tc Tc3 1 1.46431288 0.00000000 1.92887735 1 [/CIF]
BeRuTc2
Cmmm
65
orthorhombic
mmm
9,571.440599
false
[CIF] data_CoNiP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.76617067 _cell_length_b 3.76617067 _cell_length_c 3.76617067 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoNiP _chemical_formula_sum 'Co1 Ni1 P1' _cell_volume 37.77330565 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.66308482 2.66308482 2.66308482 1 Ni Ni1 1 1.33154241 1.33154241 1.33154241 1 P P2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CoNiP
F-43m
216
cubic
-43m
6,532.568274
false
[CIF] data_NbGe2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33305862 _cell_length_b 5.33305862 _cell_length_c 5.33305862 _cell_angle_alpha 136.55759485 _cell_angle_beta 136.55759485 _cell_angle_gamma 63.11945280 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbGe2As _chemical_formula_sum 'Nb1 Ge2 As1' _cell_volume 70.80975930 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.54427278 1 Ge Ge1 1 -0.00000000 1.97371466 2.27213639 1 Ge Ge2 1 0.00000000 0.00000000 0.00000000 1 Nb Nb3 1 1.97371466 0.00000000 2.27213639 1 [/CIF]
AsGe2Nb
I-4m2
119
tetragonal
-42m
7,342.604155
false
[CIF] data_BaSrSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.26933685 _cell_length_b 6.26933685 _cell_length_c 3.57983989 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSrSb2 _chemical_formula_sum 'Ba1 Sr1 Sb2' _cell_volume 140.70411959 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.13466843 3.13466843 0.00000000 1 Sb Sb1 1 3.13466843 0.00000000 1.78991995 1 Sb Sb2 1 0.00000000 3.13466843 1.78991995 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaSb2Sr
P4/mmm
123
tetragonal
4/mmm
5,528.686172
false
[CIF] data_ScTa4Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61814172 _cell_length_b 5.61814172 _cell_length_c 5.61814172 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTa4Pb _chemical_formula_sum 'Sc1 Ta4 Pb1' _cell_volume 125.39004945 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 5.95893917 5.95893917 5.95893917 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 4.98292214 4.98292214 2.96233008 1 Ta Ta3 1 4.98292214 2.96233008 4.98292214 1 Ta Ta4 1 2.96233008 4.98292214 4.98292214 1 Ta Ta5 1 2.96233008 2.96233008 2.96233008 1 [/CIF]
PbScTa4
F-43m
216
cubic
-43m
12,924.46127
false
[CIF] data_CrSi2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.69055359 _cell_length_b 4.60195227 _cell_length_c 4.27490631 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrSi2Pd _chemical_formula_sum 'Cr1 Si2 Pd1' _cell_volume 52.93103142 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.30097613 2.13972715 1 Pd Pd1 1 1.34527679 0.00000000 1.09645311 1 Si Si2 1 1.34527679 2.30097613 4.24459295 1 Si Si3 1 0.00000000 0.00000000 3.20649257 1 [/CIF]
CrPdSi2
Pmm2
25
orthorhombic
mm2
6,731.972783
false
[CIF] data_HfTa2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22945226 _cell_length_b 5.22945226 _cell_length_c 5.22945226 _cell_angle_alpha 142.37109744 _cell_angle_beta 126.91485428 _cell_angle_gamma 66.88304545 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTa2Ni _chemical_formula_sum 'Hf1 Ta2 Ni1' _cell_volume 68.79201371 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.33684694 0.13206968 1 Ni Ni1 1 -0.00000000 0.00000000 6.60291150 1 Ta Ta2 1 0.00000000 2.33684694 4.23347580 1 Ta Ta3 1 0.00000000 -0.00000000 2.12267202 1 [/CIF]
HfNiTa2
Imm2
44
orthorhombic
mm2
14,460.898809
false