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_CuBBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44305434 _cell_length_b 5.44305434 _cell_length_c 7.07827732 _cell_angle_alpha 112.64679975 _cell_angle_beta 112.64679975 _cell_angle_gamma 38.68879531 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuBBr2 _chemical_formula_sum 'Cu1 B1 Br2' _cell_volume 119.67376060 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53766442 0.00000000 2.38332751 1 Br Br1 1 0.60414482 0.00000000 0.69723676 1 Br Br2 1 5.58224610 0.00000000 3.66889632 1 Cu Cu3 1 3.35039669 0.00000000 2.94363043 1 [/CIF]
BBr2Cu
Cm
8
monoclinic
m
3,249.167809
false
[CIF] data_Cr2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.47408311 _cell_length_b 9.47408311 _cell_length_c 3.97938073 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 161.95945607 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2Pb _chemical_formula_sum 'Cr4 Pb2' _cell_volume 110.61573929 _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 Cr Cr0 1 1.48538381 -0.96781300 2.98453555 1 Cr Cr1 1 1.48538381 -8.44697074 2.98453555 1 Cr Cr2 1 1.48538381 8.44697074 0.99484518 1 Cr Cr3 1 1.48538381 0.96781300 0.99484518 1 Pb Pb4 1 1.48538381 3.36779134 2.98453555 1 Pb Pb5 1 1.48538381 -3.36779134 0.99484518 1 [/CIF]
Cr4Pb2
Cmcm
63
orthorhombic
mmm
9,343.097259
false
[CIF] data_Ca2TlHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25964998 _cell_length_b 4.25964998 _cell_length_c 6.81288635 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2TlHg _chemical_formula_sum 'Ca2 Tl1 Hg1' _cell_volume 123.61722020 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.48419688 1 Ca Ca1 1 2.12982499 2.12982499 2.07236973 1 Hg Hg2 1 0.00000000 0.00000000 3.21619911 1 Tl Tl3 1 2.12982499 2.12982499 5.25945009 1 [/CIF]
Ca2HgTl
P4mm
99
tetragonal
4mm
6,516.748527
false
[CIF] data_ReRuW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15126657 _cell_length_b 3.15126657 _cell_length_c 6.23672745 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReRuW2 _chemical_formula_sum 'Re1 Ru1 W2' _cell_volume 61.93370341 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.11836373 1 Ru Ru1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 1.57563329 1.57563329 1.59130382 1 W W3 1 1.57563329 1.57563329 4.64542363 1 [/CIF]
ReRuW2
P4/mmm
123
tetragonal
4/mmm
17,560.417438
false
[CIF] data_CuRe2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63973075 _cell_length_b 4.63973075 _cell_length_c 4.86852089 _cell_angle_alpha 101.13191501 _cell_angle_beta 101.13191501 _cell_angle_gamma 34.89004153 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuRe2Cl _chemical_formula_sum 'Cu1 Re2 Cl1' _cell_volume 58.70841001 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 3.93368865 -0.00000000 2.38389005 1 Re Re2 1 6.40933099 -0.00000000 1.24334803 1 Re Re3 1 1.45804631 -0.00000000 3.52443206 1 [/CIF]
ClCuRe2
C2/m
12
monoclinic
2/m
13,333.689378
false
[CIF] data_ZrZnB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96464655 _cell_length_b 3.96464655 _cell_length_c 3.96464655 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrZnB _chemical_formula_sum 'Zr1 Zn1 B1' _cell_volume 44.06547231 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Zn Zn1 1 4.20514269 4.20514269 4.20514269 1 Zr Zr2 1 1.40171423 1.40171423 1.40171423 1 [/CIF]
BZnZr
F-43m
216
cubic
-43m
6,308.774949
false
[CIF] data_LaMn2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87352781 _cell_length_b 2.87352781 _cell_length_c 8.58016095 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.93882129 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMn2W _chemical_formula_sum 'La1 Mn2 W1' _cell_volume 65.24524605 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Mn Mn1 1 1.58728534 0.00000000 2.41380503 1 Mn Mn2 1 1.58728534 0.00000000 6.16635592 1 W W3 1 0.00000000 0.00000000 4.29008047 1 [/CIF]
LaMn2W
Cmmm
65
orthorhombic
mmm
11,010.534022
false
[CIF] data_Mg30AlCO32 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.46177900 _cell_length_b 8.46177900 _cell_length_c 8.60049300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg30AlCO32 _chemical_formula_sum 'Mg30 Al1 C1 O32' _cell_volume 615.80995271 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.23088950 4.30024650 1 Mg Mg1 1 0.00000000 4.23088950 0.00000000 1 Mg Mg2 1 4.23088950 0.00000000 4.30024650 1 Mg Mg3 1 4.23088950 0.00000000 0.00000000 1 Mg Mg4 1 4.23088950 4.23088950 4.30024650 1 Mg Mg5 1 4.23088950 4.23088950 0.00000000 1 Mg Mg6 1 0.00000000 2.07949911 6.47526818 1 Mg Mg7 1 0.00000000 2.07949911 2.12522482 1 Mg Mg8 1 0.00000000 6.38227989 6.47526818 1 Mg Mg9 1 0.00000000 6.38227989 2.12522482 1 Mg Mg10 1 4.23088950 2.10934381 6.45798119 1 Mg Mg11 1 4.23088950 2.10934381 2.14251181 1 Mg Mg12 1 4.23088950 6.35243519 6.45798119 1 Mg Mg13 1 4.23088950 6.35243519 2.14251181 1 Mg Mg14 1 2.07949911 0.00000000 6.47526818 1 Mg Mg15 1 2.07949911 0.00000000 2.12522482 1 Mg Mg16 1 2.10934381 4.23088950 6.45798119 1 Mg Mg17 1 2.10934381 4.23088950 2.14251181 1 Mg Mg18 1 6.38227989 0.00000000 6.47526818 1 Mg Mg19 1 6.38227989 0.00000000 2.12522482 1 Mg Mg20 1 6.35243519 4.23088950 6.45798119 1 Mg Mg21 1 6.35243519 4.23088950 2.14251181 1 Mg Mg22 1 2.11475088 2.11475088 4.30024650 1 Mg Mg23 1 2.09693038 2.09693038 0.00000000 1 Mg Mg24 1 2.11475088 6.34702812 4.30024650 1 Mg Mg25 1 2.09693038 6.36484862 0.00000000 1 Mg Mg26 1 6.34702812 2.11475088 4.30024650 1 Mg Mg27 1 6.36484862 2.09693038 0.00000000 1 Mg Mg28 1 6.34702812 6.34702812 4.30024650 1 Mg Mg29 1 6.36484862 6.36484862 0.00000000 1 Al Al30 1 0.00000000 0.00000000 4.30024650 1 C C31 1 0.00000000 0.00000000 0.00000000 1 O O32 1 2.05150755 0.00000000 4.30024650 1 O O33 1 2.15570589 0.00000000 0.00000000 1 O O34 1 2.10490984 4.23088950 4.30024650 1 O O35 1 2.11691710 4.23088950 0.00000000 1 O O36 1 6.41027145 0.00000000 4.30024650 1 O O37 1 6.30607311 0.00000000 0.00000000 1 O O38 1 6.35686916 4.23088950 4.30024650 1 O O39 1 6.34486190 4.23088950 0.00000000 1 O O40 1 2.10841301 2.10841301 6.45314771 1 O O41 1 2.10841301 2.10841301 2.14734529 1 O O42 1 2.10841301 6.35336599 6.45314771 1 O O43 1 2.10841301 6.35336599 2.14734529 1 O O44 1 6.35336599 2.10841301 6.45314771 1 O O45 1 6.35336599 2.10841301 2.14734529 1 O O46 1 6.35336599 6.35336599 6.45314771 1 O O47 1 6.35336599 6.35336599 2.14734529 1 O O48 1 0.00000000 0.00000000 6.10638443 1 O O49 1 0.00000000 0.00000000 2.49410857 1 O O50 1 0.00000000 4.23088950 6.43165508 1 O O51 1 0.00000000 4.23088950 2.16883792 1 O O52 1 4.23088950 0.00000000 6.43165508 1 O O53 1 4.23088950 0.00000000 2.16883792 1 O O54 1 4.23088950 4.23088950 6.44319694 1 O O55 1 4.23088950 4.23088950 2.15729606 1 O O56 1 0.00000000 2.05150755 4.30024650 1 O O57 1 0.00000000 2.15570589 0.00000000 1 O O58 1 0.00000000 6.41027145 4.30024650 1 O O59 1 0.00000000 6.30607311 0.00000000 1 O O60 1 4.23088950 2.10490984 4.30024650 1 O O61 1 4.23088950 2.11691710 0.00000000 1 O O62 1 4.23088950 6.35686916 4.30024650 1 O O63 1 4.23088950 6.34486190 0.00000000 1 [/CIF]
CAlMg30O32
P4/mmm
123
tetragonal
4/mmm
3,451.867425
true
[CIF] data_TaTc2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06225653 _cell_length_b 4.44418227 _cell_length_c 4.63992361 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTc2Se _chemical_formula_sum 'Ta1 Tc2 Se1' _cell_volume 63.14576985 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 0.00000000 1 Ta Ta1 1 1.53112827 0.00000000 2.31996181 1 Tc Tc2 1 1.53112827 2.22209113 0.00000000 1 Tc Tc3 1 0.00000000 2.22209113 2.31996181 1 [/CIF]
SeTaTc2
Pmmm
47
orthorhombic
mmm
12,036.632197
false
[CIF] data_LaHfW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67925536 _cell_length_b 3.67925536 _cell_length_c 6.80224997 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaHfW2 _chemical_formula_sum 'La1 Hf1 W2' _cell_volume 92.08151369 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.40112499 1 La La1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 1.83962768 1.83962768 2.16599890 1 W W3 1 1.83962768 1.83962768 4.63625107 1 [/CIF]
HfLaW2
P4/mmm
123
tetragonal
4/mmm
12,354.212435
false
[CIF] data_YGe2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41134970 _cell_length_b 3.41134970 _cell_length_c 5.97828017 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 93.27293698 _symmetry_Int_Tables_number 1 _chemical_formula_structural YGe2B _chemical_formula_sum 'Y1 Ge2 B1' _cell_volume 69.45760247 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.05549209 1 Ge Ge1 1 2.34231768 0.00000000 0.16986703 1 Ge Ge2 1 0.00000000 0.00000000 4.82202202 1 Y Y3 1 2.34231768 0.00000000 2.92003912 1 [/CIF]
BGe2Y
Cmm2
35
orthorhombic
mm2
5,857.196709
false
[CIF] data_CaYCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26002404 _cell_length_b 5.26002404 _cell_length_c 5.26002404 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaYCd2 _chemical_formula_sum 'Ca1 Y1 Cd2' _cell_volume 102.90777548 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Cd Cd1 1 1.85969934 1.85969934 1.85969934 1 Cd Cd2 1 5.57909801 5.57909801 5.57909801 1 Y Y3 1 3.71939867 3.71939867 3.71939867 1 [/CIF]
CaCd2Y
Fm-3m
225
cubic
m-3m
5,709.077212
false
[CIF] data_Fe2PdPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00365827 _cell_length_b 5.00365827 _cell_length_c 5.00365827 _cell_angle_alpha 133.92794910 _cell_angle_beta 133.92794910 _cell_angle_gamma 67.20056682 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2PdPb _chemical_formula_sum 'Fe2 Pd1 Pb1' _cell_volume 63.90972415 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.95798067 0.00000000 2.08381978 1 Fe Fe1 1 -0.00000000 1.95798067 2.08381978 1 Pb Pb2 1 0.00000000 -0.00000000 4.16763956 1 Pd Pd3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
Fe2PbPd
I4/mmm
139
tetragonal
4/mmm
11,050.64808
false
[CIF] data_Sn2PbW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34875567 _cell_length_b 3.34875567 _cell_length_c 8.54370541 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn2PbW _chemical_formula_sum 'Sn2 Pb1 W1' _cell_volume 95.81051823 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 0.00000000 0.00000000 4.27185270 1 Sn Sn1 1 1.67437784 1.67437784 6.88413822 1 Sn Sn2 1 1.67437784 1.67437784 1.65956719 1 W W3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PbSn2W
P4/mmm
123
tetragonal
4/mmm
10,892.148389
false
[CIF] data_La2CdSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62132362 _cell_length_b 3.62132362 _cell_length_c 9.14612105 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2CdSn _chemical_formula_sum 'La2 Cd1 Sn1' _cell_volume 119.94209207 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 0.00000000 1 La La1 1 1.81066181 1.81066181 2.30908313 1 La La2 1 1.81066181 1.81066181 6.83703792 1 Sn Sn3 1 0.00000000 0.00000000 4.57306052 1 [/CIF]
CdLa2Sn
P4/mmm
123
tetragonal
4/mmm
7,045.911523
false
[CIF] data_BaFeIrOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69429901 _cell_length_b 4.69429901 _cell_length_c 4.69429901 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaFeIrOs _chemical_formula_sum 'Ba1 Fe1 Ir1 Os1' _cell_volume 73.14712287 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.31937066 3.31937066 3.31937066 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Ir Ir2 1 4.97905599 4.97905599 4.97905599 1 Os Os3 1 1.65968533 1.65968533 1.65968533 1 [/CIF]
BaFeIrOs
F-43m
216
cubic
-43m
13,067.333335
false
[CIF] data_CdNiMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.74289470 _cell_length_b 3.74289470 _cell_length_c 4.42380897 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdNiMo2 _chemical_formula_sum 'Cd1 Ni1 Mo2' _cell_volume 61.97429330 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.87144735 1.87144735 0.00000000 1 Mo Mo1 1 1.87144735 0.00000000 2.21190448 1 Mo Mo2 1 0.00000000 1.87144735 2.21190448 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdMo2Ni
P4/mmm
123
tetragonal
4/mmm
9,726.874906
false
[CIF] data_Hf2NiAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31885777 _cell_length_b 5.31885777 _cell_length_c 5.31885777 _cell_angle_alpha 136.04328285 _cell_angle_beta 136.04328285 _cell_angle_gamma 63.91342637 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2NiAg _chemical_formula_sum 'Hf2 Ni1 Ag1' _cell_volume 71.52845259 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.99061633 0.00000000 2.25638767 1 Hf Hf1 1 0.00000000 -0.00000000 4.51277534 1 Hf Hf2 1 0.00000000 1.99061633 2.25638767 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgHf2Ni
I-4m2
119
tetragonal
-42m
12,154.062452
false
[CIF] data_V2TcTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35234125 _cell_length_b 4.35234125 _cell_length_c 3.32750649 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2TcTe _chemical_formula_sum 'V2 Tc1 Te1' _cell_volume 63.03253736 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tc Tc0 1 0.00000000 0.00000000 0.00000000 1 Te Te1 1 2.17617063 2.17617063 0.00000000 1 V V2 1 2.17617063 0.00000000 1.66375325 1 V V3 1 0.00000000 2.17617063 1.66375325 1 [/CIF]
TcTeV2
P4/mmm
123
tetragonal
4/mmm
8,651.136675
false
[CIF] data_ZrVWAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61045922 _cell_length_b 4.61045922 _cell_length_c 4.61045922 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrVWAu _chemical_formula_sum 'Zr1 V1 W1 Au1' _cell_volume 69.29749848 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.26008698 3.26008698 3.26008698 1 V V1 1 -0.00000000 -0.00000000 0.00000000 1 W W2 1 4.89013047 4.89013047 4.89013047 1 Zr Zr3 1 1.63004349 1.63004349 1.63004349 1 [/CIF]
AuVWZr
F-43m
216
cubic
-43m
12,531.701293
false
[CIF] data_YNbZnPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73403982 _cell_length_b 4.73403982 _cell_length_c 4.73403982 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YNbZnPt _chemical_formula_sum 'Y1 Nb1 Zn1 Pt1' _cell_volume 75.02063268 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.02120749 5.02120749 5.02120749 1 Pt Pt1 1 1.67373583 1.67373583 1.67373583 1 Y Y2 1 3.34747166 3.34747166 3.34747166 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NbPtYZn
F-43m
216
cubic
-43m
9,789.532984
false
[CIF] data_Ba2MgOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37809507 _cell_length_b 5.37809507 _cell_length_c 4.28567294 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2MgOs _chemical_formula_sum 'Ba2 Mg1 Os1' _cell_volume 123.95840399 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.68904754 0.00000000 2.14283647 1 Ba Ba1 1 0.00000000 2.68904754 2.14283647 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 2.68904754 2.68904754 0.00000000 1 [/CIF]
Ba2MgOs
P4/mmm
123
tetragonal
4/mmm
6,553.175274
false
[CIF] data_SrEu(PPt)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15158605 _cell_length_b 4.15158605 _cell_length_c 8.88323000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrEu(PPt)2 _chemical_formula_sum 'Sr1 Eu1 P2 Pt2' _cell_volume 132.59575682 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 1 Eu Eu1 1 0.00000000 0.00000000 4.44161500 1 P P2 1 2.07579303 1.19845966 2.33203442 1 P P3 1 0.00000000 2.39691932 6.55119558 1 Pt Pt4 1 2.07579303 1.19845966 6.60469927 1 Pt Pt5 1 0.00000000 2.39691932 2.27853073 1 [/CIF]
EuP2Pt2Sr
P-3m1
164
trigonal
-3m
8,662.374413
false
[CIF] data_CaSnSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98655454 _cell_length_b 3.98655454 _cell_length_c 6.40486549 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaSnSe _chemical_formula_sum 'Ca1 Sn1 Se1' _cell_volume 88.15279044 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.30459664 1 Se Se1 1 -0.00000000 2.30163833 2.01709543 1 Sn Sn2 1 1.99327727 1.15081917 4.08317342 1 [/CIF]
CaSeSn
P3m1
156
trigonal
3m
4,478.472431
false
[CIF] data_V2HgOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44582793 _cell_length_b 4.44582793 _cell_length_c 4.44582793 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2HgOs _chemical_formula_sum 'V2 Hg1 Os1' _cell_volume 62.13595147 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.71551262 4.71551262 4.71551262 1 Os Os1 1 3.14367508 3.14367508 3.14367508 1 V V2 1 1.57183754 1.57183754 1.57183754 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgOsV2
F-43m
216
cubic
-43m
13,167.136905
false
[CIF] data_Sc2VTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91838090 _cell_length_b 4.91838090 _cell_length_c 4.91838090 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2VTe _chemical_formula_sum 'Sc2 V1 Te1' _cell_volume 84.13011474 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.21673073 5.21673074 5.21673074 1 Sc Sc1 1 1.73891024 1.73891024 1.73891025 1 Te Te2 1 3.47782049 3.47782049 3.47782049 1 V V3 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
Sc2TeV
Fm-3m
225
cubic
m-3m
5,298.664259
false
[CIF] data_TiGaPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68116768 _cell_length_b 4.68116768 _cell_length_c 4.68116768 _cell_angle_alpha 128.55781918 _cell_angle_beta 128.55781918 _cell_angle_gamma 75.72310946 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiGaPd2 _chemical_formula_sum 'Ti1 Ga1 Pd2' _cell_volume 61.01456121 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.69576358 1 Pd Pd1 1 0.00000000 2.03158342 1.84788179 1 Pd Pd2 1 2.03158342 0.00000000 1.84788179 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GaPd2Ti
I4/mmm
139
tetragonal
4/mmm
8,992.802912
false
[CIF] data_CaMgB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.42048640 _cell_length_b 3.42048640 _cell_length_c 7.53412469 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 124.18696680 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMgB2 _chemical_formula_sum 'Ca1 Mg1 B2' _cell_volume 72.91610835 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.60089137 0.00000000 6.82307623 1 B B1 1 0.00000000 0.00000000 6.46943059 1 Ca Ca2 1 1.60089137 0.00000000 4.25193661 1 Mg Mg3 1 0.00000000 0.00000000 1.29086829 1 [/CIF]
B2CaMg
Cmm2
35
orthorhombic
mm2
1,958.616082
false
[CIF] data_Co4Pd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05506808 _cell_length_b 5.05506808 _cell_length_c 4.48556539 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co4Pd3 _chemical_formula_sum 'Co4 Pd3' _cell_volume 99.26630171 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 3.39455756 1 Co Co1 1 0.00000000 0.00000000 1.09100783 1 Co Co2 1 0.00000000 2.91854492 0.00000000 1 Co Co3 1 2.52753404 1.45927246 0.00000000 1 Pd Pd4 1 2.52753404 0.00000000 2.24278269 1 Pd Pd5 1 -1.26376702 2.18890869 2.24278269 1 Pd Pd6 1 1.26376702 2.18890869 2.24278269 1 [/CIF]
Co4Pd3
P6/mmm
191
hexagonal
6/mmm
9,283.98839
false
[CIF] data_MnCdIrPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48365586 _cell_length_b 4.48365586 _cell_length_c 4.48365586 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCdIrPd _chemical_formula_sum 'Mn1 Cd1 Ir1 Pd1' _cell_volume 63.73556125 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.17042346 3.17042346 3.17042346 1 Ir Ir1 1 1.58521173 1.58521173 1.58521173 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 4.75563519 4.75563519 4.75563519 1 [/CIF]
CdIrMnPd
F-43m
216
cubic
-43m
12,140.601212
false
[CIF] data_HfTaTiTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82190504 _cell_length_b 4.82190504 _cell_length_c 4.82190504 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTaTiTl _chemical_formula_sum 'Hf1 Ta1 Ti1 Tl1' _cell_volume 79.27585990 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.70480088 1.70480088 1.70480088 1 Ta Ta1 1 5.11440263 5.11440263 5.11440263 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 3.40960175 3.40960175 3.40960175 1 [/CIF]
HfTaTiTl
F-43m
216
cubic
-43m
12,812.628217
false
[CIF] data_KMn2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.13111598 _cell_length_b 6.13111598 _cell_length_c 3.01690974 _cell_angle_alpha 102.86450056 _cell_angle_beta 102.86450056 _cell_angle_gamma 114.68214719 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMn2Sn _chemical_formula_sum 'K1 Mn2 Sn1' _cell_volume 93.86684854 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 1.03192237 2.58088668 1.37408033 1 Mn Mn2 1 1.03192237 -2.58088667 1.37408033 1 Sn Sn3 1 3.30857660 -0.00000000 0.00000000 1 [/CIF]
KMn2Sn
C2/m
12
monoclinic
2/m
4,735.43529
false
[CIF] data_BeCuRhPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39506697 _cell_length_b 4.39506697 _cell_length_c 4.39506697 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCuRhPb _chemical_formula_sum 'Be1 Cu1 Rh1 Pb1' _cell_volume 60.03181777 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 3.10778166 3.10778166 3.10778166 1 Pb Pb2 1 4.66167249 4.66167249 4.66167249 1 Rh Rh3 1 1.55389083 1.55389083 1.55389083 1 [/CIF]
BeCuPbRh
F-43m
216
cubic
-43m
10,584.853449
false
[CIF] data_Nb2Co3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.30148251 _cell_length_b 8.30148251 _cell_length_c 8.30148251 _cell_angle_alpha 22.34357925 _cell_angle_beta 22.34357925 _cell_angle_gamma 22.34357925 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2Co3 _chemical_formula_sum 'Nb2 Co3' _cell_volume 72.50980985 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 0.00000000 1 Co Co1 1 0.00000000 0.00000000 4.77467355 1 Co Co2 1 0.00000000 0.00000000 19.49850501 1 Nb Nb3 1 -0.00000000 0.00000000 9.85336041 1 Nb Nb4 1 0.00000000 0.00000000 14.41981815 1 [/CIF]
Co3Nb2
R-3m
166
trigonal
-3m
8,304.14491
false
[CIF] data_VCrSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45661597 _cell_length_b 4.45661597 _cell_length_c 4.45661597 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCrSn _chemical_formula_sum 'V1 Cr1 Sn1' _cell_volume 62.58937824 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.15130337 3.15130337 3.15130337 1 Sn Sn1 1 1.57565168 1.57565168 1.57565168 1 V V2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CrSnV
F-43m
216
cubic
-43m
5,880.462614
false
[CIF] data_CoAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.19877719 _cell_length_b 8.19877719 _cell_length_c 8.19877719 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoAu2 _chemical_formula_sum 'Co8 Au16' _cell_volume 389.70165938 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.44935274 4.34805821 4.34805821 1 Au Au1 1 4.34805821 1.44935274 4.34805821 1 Au Au2 1 4.34805821 4.34805821 1.44935274 1 Au Au3 1 1.44935274 1.44935274 1.44935274 1 Au Au4 1 5.79741095 5.79741095 7.93959221 1 Au Au5 1 5.79741095 7.93959221 5.79741095 1 Au Au6 1 7.93959221 5.79741095 5.79741095 1 Au Au7 1 3.65522969 5.79741095 5.79741095 1 Au Au8 1 5.79741095 3.65522969 5.79741095 1 Au Au9 1 5.79741095 5.79741095 3.65522969 1 Au Au10 1 8.69611643 8.69611643 6.55393516 1 Au Au11 1 8.69611643 6.55393516 8.69611643 1 Au Au12 1 6.55393516 8.69611643 8.69611643 1 Au Au13 1 10.83829769 8.69611642 8.69611642 1 Au Au14 1 8.69611642 10.83829769 8.69611642 1 Au Au15 1 8.69611643 8.69611643 10.83829769 1 Co Co16 1 10.66846238 10.66846238 10.66846238 1 Co Co17 1 6.72377047 6.72377047 10.66846238 1 Co Co18 1 6.72377047 10.66846238 6.72377047 1 Co Co19 1 10.66846238 6.72377047 6.72377047 1 Co Co20 1 3.82506500 3.82506500 3.82506500 1 Co Co21 1 1.97234595 1.97234595 3.82506500 1 Co Co22 1 1.97234595 3.82506500 1.97234595 1 Co Co23 1 3.82506500 1.97234595 1.97234595 1 [/CIF]
Au16Co8
Fd-3m
227
cubic
m-3m
15,437.496244
false
[CIF] data_GaAg2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25464393 _cell_length_b 4.54560406 _cell_length_c 6.11331058 _cell_angle_alpha 90.00000000 _cell_angle_beta 94.98687176 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaAg2Bi _chemical_formula_sum 'Ga1 Ag2 Bi1' _cell_volume 90.09993287 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 2.49556696 2.27280203 1.26501986 1 Ag Ag1 1 0.22766229 2.27280203 4.82514965 1 Bi Bi2 1 1.36161462 0.00000000 3.04508476 1 Ga Ga3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2BiGa
P2/m
10
monoclinic
2/m
9,112.510718
false
[CIF] data_Li2AlPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67895121 _cell_length_b 4.67895121 _cell_length_c 3.53359504 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2AlPb _chemical_formula_sum 'Li2 Al1 Pb1' _cell_volume 77.35952774 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Li Li1 1 0.00000000 2.33947561 1.76679752 1 Li Li2 1 2.33947561 0.00000000 1.76679752 1 Pb Pb3 1 2.33947561 2.33947561 0.00000000 1 [/CIF]
AlLi2Pb
P4/mmm
123
tetragonal
4/mmm
5,324.737739
false
[CIF] data_InCuRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41089788 _cell_length_b 4.41089788 _cell_length_c 4.41089788 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InCuRu2 _chemical_formula_sum 'In1 Cu1 Ru2' _cell_volume 60.68285580 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 4.67846370 4.67846370 4.67846370 1 Ru Ru2 1 3.11897580 3.11897580 3.11897580 1 Ru Ru3 1 1.55948790 1.55948790 1.55948790 1 [/CIF]
CuInRu2
F-43m
216
cubic
-43m
10,412.195482
false
[CIF] data_LiV2Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24072290 _cell_length_b 4.24072290 _cell_length_c 4.24072290 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiV2Zn _chemical_formula_sum 'Li1 V2 Zn1' _cell_volume 53.92680478 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 V V1 1 4.49796588 4.49796588 4.49796588 1 V V2 1 1.49932196 1.49932196 1.49932196 1 Zn Zn3 1 2.99864392 2.99864392 2.99864392 1 [/CIF]
LiV2Zn
Fm-3m
225
cubic
m-3m
5,364.169985
false
[CIF] data_Ba3Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22505716 _cell_length_b 4.22505716 _cell_length_c 10.89358938 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3Zn _chemical_formula_sum 'Ba3 Zn1' _cell_volume 194.46264059 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.11252858 2.11252858 1.92005232 1 Ba Ba1 1 0.00000000 0.00000000 5.44679469 1 Ba Ba2 1 2.11252858 2.11252858 8.97353706 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba3Zn
P4/mmm
123
tetragonal
4/mmm
4,076.241004
false
[CIF] data_MnIn2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93495213 _cell_length_b 2.93495213 _cell_length_c 8.23346940 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnIn2Ru _chemical_formula_sum 'Mn1 In2 Ru1' _cell_volume 70.92264447 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.85906102 1 In In1 1 1.46747607 1.46747607 2.49502611 1 Mn Mn2 1 0.00000000 0.00000000 4.43593379 1 Ru Ru3 1 1.46747607 1.46747607 5.79365249 1 [/CIF]
In2MnRu
P4mm
99
tetragonal
4mm
9,029.303057
false
[CIF] data_Co2RuW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.63669386 _cell_length_b 3.69924932 _cell_length_c 5.22460413 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2RuW _chemical_formula_sum 'Co2 Ru1 W1' _cell_volume 50.95968088 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.31834693 1.84962466 3.96556758 1 Co Co1 1 1.31834693 1.84962466 1.25903654 1 Ru Ru2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 0.00000000 0.00000000 2.61230206 1 [/CIF]
Co2RuW
Pmmm
47
orthorhombic
mmm
13,125.254449
false
[CIF] data_TaZnNiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34189174 _cell_length_b 4.34189174 _cell_length_c 4.34189174 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaZnNiIr _chemical_formula_sum 'Ta1 Zn1 Ni1 Ir1' _cell_volume 57.87912713 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.07018109 3.07018109 3.07018109 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 4.60527164 4.60527164 4.60527164 1 Zn Zn3 1 1.53509055 1.53509055 1.53509055 1 [/CIF]
IrNiTaZn
F-43m
216
cubic
-43m
14,265.65379
false
[CIF] data_Ti6Ga16Co7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.35454299 _cell_length_b 8.35454299 _cell_length_c 8.35454299 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti6Ga16Co7 _chemical_formula_sum 'Ti6 Ga16 Co7' _cell_volume 412.33774933 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ti Ti0 1 5.90755400 5.90755400 8.19324572 1 Ti Ti1 1 5.90755400 3.62186228 5.90755400 1 Ti Ti2 1 3.62186228 5.90755400 5.90755400 1 Ti Ti3 1 5.90755400 5.90755400 3.62186228 1 Ti Ti4 1 5.90755400 8.19324572 5.90755400 1 Ti Ti5 1 8.19324572 5.90755400 5.90755400 1 Ga Ga6 1 7.33983259 7.33983259 10.38282941 1 Ga Ga7 1 7.33983259 10.38282941 7.33983259 1 Ga Ga8 1 10.38282941 7.33983259 7.33983259 1 Ga Ga9 1 10.38282941 10.38282941 10.38282941 1 Ga Ga10 1 4.47527541 4.47527541 1.43227859 1 Ga Ga11 1 4.47527541 1.43227859 4.47527541 1 Ga Ga12 1 1.43227859 4.47527541 4.47527541 1 Ga Ga13 1 1.43227859 1.43227859 1.43227859 1 Ga Ga14 1 4.08528232 4.08528232 7.72982568 1 Ga Ga15 1 4.08528232 7.72982568 4.08528232 1 Ga Ga16 1 7.72982568 4.08528232 4.08528232 1 Ga Ga17 1 7.72982568 7.72982568 7.72982568 1 Ga Ga18 1 7.72982568 7.72982568 4.08528232 1 Ga Ga19 1 7.72982568 4.08528232 7.72982568 1 Ga Ga20 1 4.08528232 7.72982568 7.72982568 1 Ga Ga21 1 4.08528232 4.08528232 4.08528232 1 Co Co22 1 0.00000000 0.00000000 0.00000000 1 Co Co23 1 2.95377700 2.95377700 0.00000000 1 Co Co24 1 2.95377700 5.90755400 2.95377700 1 Co Co25 1 5.90755400 2.95377700 2.95377700 1 Co Co26 1 2.95377700 2.95377700 5.90755400 1 Co Co27 1 2.95377700 -0.00000000 2.95377700 1 Co Co28 1 -0.00000000 2.95377700 2.95377700 1 [/CIF]
Co7Ga16Ti6
Fm-3m
225
cubic
m-3m
7,310.46454
false
[CIF] data_AlSbBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.67245357 _cell_length_b 7.67245357 _cell_length_c 7.67245357 _cell_angle_alpha 155.21115718 _cell_angle_beta 155.21115718 _cell_angle_gamma 35.34155397 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlSbBr _chemical_formula_sum 'Al1 Sb1 Br1' _cell_volume 79.30385425 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 14.49554194 1 Br Br1 1 -0.00000000 0.00000000 5.49425153 1 Sb Sb2 1 -0.00000000 0.00000000 9.25196569 1 [/CIF]
AlBrSb
I4mm
107
tetragonal
4mm
4,787.596427
false
[CIF] data_NbRhCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25644021 _cell_length_b 3.25644021 _cell_length_c 7.73384818 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbRhCl2 _chemical_formula_sum 'Nb1 Rh1 Cl2' _cell_volume 82.01284136 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.97668588 1 Cl Cl1 1 1.62822010 1.62822010 2.49197357 1 Nb Nb2 1 0.00000000 0.00000000 4.30192861 1 Rh Rh3 1 1.62822010 1.62822010 5.56403239 1 [/CIF]
Cl2NbRh
P4mm
99
tetragonal
4mm
5,400.39073
false
[CIF] data_MgGe2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51315819 _cell_length_b 3.51315819 _cell_length_c 6.18182501 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgGe2As _chemical_formula_sum 'Mg1 Ge2 As1' _cell_volume 76.29781808 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.09091251 1 Ge Ge1 1 1.75657910 1.75657910 4.52090482 1 Ge Ge2 1 1.75657910 1.75657910 1.66092019 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsGe2Mg
P4/mmm
123
tetragonal
4/mmm
5,321.420344
false
[CIF] data_CrCu2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.99895571 _cell_length_b 2.99895571 _cell_length_c 5.46567105 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrCu2P _chemical_formula_sum 'Cr1 Cu2 P1' _cell_volume 49.15679894 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.49947786 1.49947786 3.92880584 1 Cu Cu1 1 0.00000000 0.00000000 0.02832480 1 Cu Cu2 1 1.49947786 1.49947786 1.31461774 1 P P3 1 0.00000000 0.00000000 2.92675819 1 [/CIF]
CrCu2P
P4mm
99
tetragonal
4mm
7,095.985414
false
[CIF] data_MgSn5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.28715443 _cell_length_b 6.28715443 _cell_length_c 6.28715443 _cell_angle_alpha 56.33110519 _cell_angle_beta 56.33110519 _cell_angle_gamma 56.33110519 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSn5 _chemical_formula_sum 'Mg1 Sn5' _cell_volume 160.81660302 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 -0.99849048 -1.72943624 7.90680359 1 Sn Sn2 1 -0.00000000 -0.00000000 10.52348443 1 Sn Sn3 1 -0.99849048 1.72943624 7.90680358 1 Sn Sn4 1 1.99698096 -0.00000000 7.90680358 1 Sn Sn5 1 -0.00000000 -0.00000000 5.29012274 1 [/CIF]
Mg3Sn15
R32
155
trigonal
32
6,379.766681
false
[CIF] data_MgCoAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32249217 _cell_length_b 3.32249217 _cell_length_c 6.05042778 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCoAs2 _chemical_formula_sum 'Mg1 Co1 As2' _cell_volume 66.79039527 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66124609 1.66124609 0.03506174 1 As As1 1 0.00000000 0.00000000 1.92011935 1 Co Co2 1 1.66124609 1.66124609 2.52518603 1 Mg Mg3 1 0.00000000 0.00000000 4.59527455 1 [/CIF]
As2CoMg
P4mm
99
tetragonal
4mm
5,794.856588
false
[CIF] data_SrScTaMn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93708692 _cell_length_b 4.93708692 _cell_length_c 4.93708692 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrScTaMn _chemical_formula_sum 'Sr1 Sc1 Ta1 Mn1' _cell_volume 85.09368314 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.74552382 1.74552382 1.74552382 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 3.49104764 3.49104764 3.49104764 1 Ta Ta3 1 5.23657146 5.23657146 5.23657146 1 [/CIF]
MnScSrTa
F-43m
216
cubic
-43m
7,190.254932
false
[CIF] data_Ta2InHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.92542582 _cell_length_b 2.92542582 _cell_length_c 9.06686161 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 94.22134480 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2InHg _chemical_formula_sum 'Ta2 In1 Hg1' _cell_volume 77.38474932 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.53343080 1 In In1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 1.99099920 0.00000000 2.27257668 1 Ta Ta3 1 1.99099920 0.00000000 6.79428493 1 [/CIF]
HgInTa2
Cmmm
65
orthorhombic
mmm
14,533.733885
false
[CIF] data_CuPtRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.74947112 _cell_length_b 2.74947112 _cell_length_c 7.49366271 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuPtRh2 _chemical_formula_sum 'Cu1 Pt1 Rh2' _cell_volume 56.64902847 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.71731771 1 Pt Pt1 1 1.37473556 1.37473556 5.56704562 1 Rh Rh2 1 0.00000000 0.00000000 0.06145388 1 Rh Rh3 1 1.37473556 1.37473556 1.89467685 1 [/CIF]
CuPtRh2
P4mm
99
tetragonal
4mm
13,614.045031
false
[CIF] data_Si2NiTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89553961 _cell_length_b 3.20490835 _cell_length_c 7.41122395 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2NiTe _chemical_formula_sum 'Si2 Ni1 Te1' _cell_volume 68.77570672 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 0.00000000 0.00000000 1 Si Si1 1 1.44776981 1.60245418 1.29946503 1 Si Si2 1 1.44776981 1.60245418 6.11175892 1 Te Te3 1 0.00000000 0.00000000 3.70561197 1 [/CIF]
NiSi2Te
Pmmm
47
orthorhombic
mmm
5,854.125354
false
[CIF] data_CuOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75812628 _cell_length_b 2.75812628 _cell_length_c 7.00245670 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuOs _chemical_formula_sum 'Cu2 Os2' _cell_volume 53.26951279 _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 1.37906314 0.00000000 4.28926011 1 Cu Cu1 1 0.00000000 1.37906314 2.71319659 1 Os Os2 1 1.37906314 0.00000000 0.86552269 1 Os Os3 1 0.00000000 1.37906314 6.13693401 1 [/CIF]
Cu2Os2
P4/nmm
129
tetragonal
4/mmm
15,821.618786
false
[CIF] data_NbAlCoPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63747525 _cell_length_b 4.63747525 _cell_length_c 4.63747525 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbAlCoPb _chemical_formula_sum 'Nb1 Al1 Co1 Pb1' _cell_volume 70.52284399 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Co Co1 1 4.91878530 4.91878530 4.91878530 1 Nb Nb2 1 3.27919020 3.27919020 3.27919020 1 Pb Pb3 1 1.63959510 1.63959510 1.63959510 1 [/CIF]
AlCoNbPb
F-43m
216
cubic
-43m
9,089.297927
false
[CIF] data_BaMgSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40118813 _cell_length_b 4.40118813 _cell_length_c 6.41963017 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMgSe _chemical_formula_sum 'Ba1 Mg1 Se1' _cell_volume 107.69127234 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.20059409 1.27051356 6.12550101 1 Mg Mg1 1 0.00000000 0.00000000 2.64432392 1 Se Se2 1 0.00000002 2.54102714 4.06943541 1 [/CIF]
BaMgSe
P3m1
156
trigonal
3m
3,709.793803
false
[CIF] data_SrBeSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64941775 _cell_length_b 4.64941775 _cell_length_c 4.63332520 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrBeSn2 _chemical_formula_sum 'Sr1 Be1 Sn2' _cell_volume 100.15898660 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 0.00000000 2.32470887 2.31666260 1 Sn Sn2 1 2.32470887 0.00000000 2.31666260 1 Sr Sr3 1 2.32470887 2.32470887 0.00000000 1 [/CIF]
BeSn2Sr
P4/mmm
123
tetragonal
4/mmm
5,538.261891
false
[CIF] data_ZrZn2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.50685553 _cell_length_b 3.96691313 _cell_length_c 5.73576511 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrZn2Sb _chemical_formula_sum 'Zr1 Zn2 Sb1' _cell_volume 79.79247255 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sb Sb0 1 0.00000000 0.00000000 2.86788255 1 Zn Zn1 1 1.75342777 1.98345657 4.39911486 1 Zn Zn2 1 1.75342777 1.98345657 1.33665025 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
SbZn2Zr
Pmmm
47
orthorhombic
mmm
7,153.561266
false
[CIF] data_RuPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06286916 _cell_length_b 5.06286916 _cell_length_c 6.23990274 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RuPb2 _chemical_formula_sum 'Ru2 Pb4' _cell_volume 138.51661194 _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 Pb Pb0 1 0.00000000 0.00000000 3.11995137 1 Pb Pb1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 2.53143458 1.46152444 1.55997568 1 Pb Pb3 1 -0.00000000 2.92304887 4.67992706 1 Ru Ru4 1 2.53143458 1.46152444 4.67992706 1 Ru Ru5 1 -0.00000000 2.92304887 1.55997568 1 [/CIF]
Pb4Ru2
P6_3/mmc
194
hexagonal
6/mmm
12,358.923028
false
[CIF] data_InTeW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25124750 _cell_length_b 3.25124750 _cell_length_c 8.18254045 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InTeW2 _chemical_formula_sum 'In1 Te1 W2' _cell_volume 86.49444641 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.59839343 1 Te Te1 1 1.62562375 1.62562375 6.71102682 1 W W2 1 0.00000000 0.00000000 0.27650498 1 W W3 1 1.62562375 1.62562375 1.68788544 1 [/CIF]
InTeW2
P4mm
99
tetragonal
4mm
11,712.793348
false
[CIF] data_ScC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.33664646 _cell_length_b 3.33664646 _cell_length_c 2.77593800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScC _chemical_formula_sum 'Sc1 C1' _cell_volume 26.76460134 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sc Sc1 1 1.66832321 0.96320688 1.38796900 1 [/CIF]
CSc
P-6m2
187
hexagonal
-6m2
3,534.362221
false
[CIF] data_HgS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.15520279 _cell_length_b 9.15520279 _cell_length_c 9.15520279 _cell_angle_alpha 24.86497568 _cell_angle_beta 24.86497568 _cell_angle_gamma 24.86497568 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgS _chemical_formula_sum 'Hg2 S2' _cell_volume 119.34011584 _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 Hg Hg0 1 0.00000000 -0.00000000 3.19581070 1 Hg Hg1 1 -0.00000000 -0.00000000 23.40758814 1 S S2 1 0.00000000 0.00000000 9.14303111 1 S S3 1 0.00000000 0.00000000 17.46036774 1 [/CIF]
Hg2S2
R-3m
166
trigonal
-3m
6,474.482005
false
[CIF] data_TiVAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07709639 _cell_length_b 5.07709639 _cell_length_c 2.76352679 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 114.76253229 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiVAg2 _chemical_formula_sum 'Ti1 V1 Ag2' _cell_volume 64.68521322 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.36839479 -2.13815871 1.38176339 1 Ag Ag1 1 1.36839479 2.13815870 1.38176339 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 2.73678957 0.00000000 0.00000000 1 [/CIF]
Ag2TiV
Cmmm
65
orthorhombic
mmm
8,074.706237
false
[CIF] data_Mn2CoSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29055748 _cell_length_b 4.29055748 _cell_length_c 4.29055748 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2CoSb _chemical_formula_sum 'Mn2 Co1 Sb1' _cell_volume 55.85038563 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.03388229 3.03388229 3.03388229 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Mn Mn2 1 4.55082344 4.55082344 4.55082344 1 Sb Sb3 1 1.51694115 1.51694115 1.51694115 1 [/CIF]
CoMn2Sb
F-43m
216
cubic
-43m
8,639.182055
false
[CIF] data_BaNaNbBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58777016 _cell_length_b 5.58777016 _cell_length_c 5.58777016 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNaNbBi _chemical_formula_sum 'Ba1 Na1 Nb1 Bi1' _cell_volume 123.36745452 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.92672526 5.92672526 5.92672526 1 Bi Bi1 1 3.95115017 3.95115017 3.95115017 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Nb Nb3 1 1.97557509 1.97557509 1.97557509 1 [/CIF]
BaBiNaNb
F-43m
216
cubic
-43m
6,221.308961
false
[CIF] data_MgNbFeW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44865539 _cell_length_b 4.44865539 _cell_length_c 4.44865539 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgNbFeW _chemical_formula_sum 'Mg1 Nb1 Fe1 W1' _cell_volume 62.25457828 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57283719 1.57283719 1.57283720 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 3.14567439 3.14567439 3.14567439 1 W W3 1 4.71851158 4.71851158 4.71851159 1 [/CIF]
FeMgNbW
F-43m
216
cubic
-43m
9,519.62728
false
[CIF] data_Er3CrS6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.21718100 _cell_length_b 15.85788900 _cell_length_c 3.74337200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er3CrS6 _chemical_formula_sum 'Er12 Cr4 S24' _cell_volume 784.59800327 _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 Er Er0 1 3.20740010 9.49395957 0.00000000 1 Er Er1 1 10.00978090 6.36392943 0.00000000 1 Er Er2 1 9.81599060 14.29287393 1.87168600 1 Er Er3 1 3.40119040 1.56501507 1.87168600 1 Er Er4 1 2.39688291 13.52297342 1.87168600 1 Er Er5 1 10.82029809 2.33491558 1.87168600 1 Er Er6 1 9.00547341 10.26386008 0.00000000 1 Er Er7 1 4.21170759 5.59402892 0.00000000 1 Er Er8 1 12.56090831 11.44210123 1.87168600 1 Er Er9 1 0.65627269 4.41578777 1.87168600 1 Er Er10 1 5.95231781 12.34473227 0.00000000 1 Er Er11 1 7.26486319 3.51315673 0.00000000 1 Cr Cr12 1 0.00000000 7.92894450 0.00000000 1 Cr Cr13 1 6.60859050 0.00000000 1.87168600 1 Cr Cr14 1 0.00000000 0.00000000 0.00000000 1 Cr Cr15 1 6.60859050 7.92894450 1.87168600 1 S S16 1 2.39597092 15.54291961 0.00000000 1 S S17 1 10.82121008 0.31496939 0.00000000 1 S S18 1 9.00456142 8.24391389 1.87168600 1 S S19 1 4.21261958 7.61397511 1.87168600 1 S S20 1 12.92994522 14.30749491 1.87168600 1 S S21 1 0.28723578 1.55039409 1.87168600 1 S S22 1 6.32135472 9.47933859 0.00000000 1 S S23 1 6.89582628 6.37855041 0.00000000 1 S S24 1 1.37417709 11.84168832 0.00000000 1 S S25 1 11.84300391 4.01620068 0.00000000 1 S S26 1 7.98276759 11.94514518 1.87168600 1 S S27 1 5.23441341 3.91274382 1.87168600 1 S S28 1 10.72151288 12.52292737 0.00000000 1 S S29 1 2.49566812 3.33496163 0.00000000 1 S S30 1 4.11292238 11.26390613 1.87168600 1 S S31 1 9.10425862 4.59398287 1.87168600 1 S S32 1 5.52347316 1.20516785 0.00000000 1 S S33 1 7.69370784 14.65272115 0.00000000 1 S S34 1 12.13206366 6.72377665 1.87168600 1 S S35 1 1.08511734 9.13411235 1.87168600 1 S S36 1 8.19255069 1.73279153 1.87168600 1 S S37 1 5.02463031 14.12509747 1.87168600 1 S S38 1 1.58396019 6.19615297 0.00000000 1 S S39 1 11.63322081 9.66173603 0.00000000 1 [/CIF]
Cr4Er12S24
Pnnm
58
orthorhombic
mmm
6,316.778643
false
[CIF] data_FePb2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34050431 _cell_length_b 3.34050431 _cell_length_c 6.69599985 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FePb2W _chemical_formula_sum 'Fe1 Pb2 W1' _cell_volume 74.72045505 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 1.67025216 1.67025216 1.59106800 1 Pb Pb2 1 1.67025216 1.67025216 5.10493185 1 W W3 1 0.00000000 0.00000000 3.34799992 1 [/CIF]
FePb2W
P4/mmm
123
tetragonal
4/mmm
14,535.962002
false
[CIF] data_VGaMoOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36555125 _cell_length_b 4.36555125 _cell_length_c 4.36555125 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VGaMoOs _chemical_formula_sum 'V1 Ga1 Mo1 Os1' _cell_volume 58.83046407 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.63036634 4.63036633 4.63036634 1 Mo Mo1 1 3.08691089 3.08691089 3.08691089 1 Os Os2 1 1.54345544 1.54345544 1.54345544 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GaMoOsV
F-43m
216
cubic
-43m
11,483.808641
false
[CIF] data_ZrB2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88419566 _cell_length_b 2.88419566 _cell_length_c 6.25792988 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrB2Au _chemical_formula_sum 'Zr1 B2 Au1' _cell_volume 52.05711916 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.44209783 1.44209783 5.08351113 1 B B1 1 0.00000000 0.00000000 0.43139521 1 B B2 1 1.44209783 1.44209783 1.09861589 1 Zr Zr3 1 0.00000000 0.00000000 2.77337259 1 [/CIF]
AuB2Zr
P4mm
99
tetragonal
4mm
9,882.526779
false
[CIF] data_NiMoPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79056673 _cell_length_b 4.79056673 _cell_length_c 4.79056673 _cell_angle_alpha 133.50275431 _cell_angle_beta 133.50275431 _cell_angle_gamma 67.86569817 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiMoPd2 _chemical_formula_sum 'Ni1 Mo1 Pd2' _cell_volume 56.84862161 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 0.00000000 0.00000000 3.97469671 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 0.00000000 1.89094099 1.98734836 1 Pd Pd3 1 1.89094099 -0.00000000 1.98734836 1 [/CIF]
MoNiPd2
I4/mmm
139
tetragonal
4/mmm
10,735.143661
false
[CIF] data_LaPrTi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22489827 _cell_length_b 5.22489827 _cell_length_c 5.22489827 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaPrTi2 _chemical_formula_sum 'La1 Pr1 Ti2' _cell_volume 100.85989695 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Pr Pr1 1 3.69456100 3.69456100 3.69456100 1 Ti Ti2 1 5.54184150 5.54184150 5.54184150 1 Ti Ti3 1 1.84728050 1.84728050 1.84728050 1 [/CIF]
LaPrTi2
Fm-3m
225
cubic
m-3m
6,182.939731
false
[CIF] data_BeHg2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38049367 _cell_length_b 5.38049367 _cell_length_c 5.38049367 _cell_angle_alpha 136.55546265 _cell_angle_beta 114.76050772 _cell_angle_gamma 81.67044325 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeHg2Sb _chemical_formula_sum 'Be1 Hg2 Sb1' _cell_volume 94.04919833 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.08034213 1 Hg Hg1 1 1.99136293 0.00000000 0.37525514 1 Hg Hg2 1 0.00000000 -0.00000000 6.18811728 1 Sb Sb3 1 1.99136293 0.00000000 3.56882083 1 [/CIF]
BeHg2Sb
Imm2
44
orthorhombic
mm2
9,392.184043
false
[CIF] data_MnHgOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78589810 _cell_length_b 4.78589810 _cell_length_c 2.79947771 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 110.98778415 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnHgOs2 _chemical_formula_sum 'Mn1 Hg1 Os2' _cell_volume 59.86750769 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 2.71118298 -0.00000000 0.00000000 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 1.35559149 1.97194748 1.39973886 1 Os Os3 1 1.35559149 -1.97194748 1.39973886 1 [/CIF]
HgMnOs2
Cmmm
65
orthorhombic
mmm
17,640.336727
false
[CIF] data_CaNbGaRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69803843 _cell_length_b 4.69803843 _cell_length_c 4.69803843 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaNbGaRe _chemical_formula_sum 'Ca1 Nb1 Ga1 Re1' _cell_volume 73.32206646 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 4.98302225 4.98302225 4.98302225 1 Nb Nb2 1 3.32201483 3.32201483 3.32201483 1 Re Re3 1 1.66100742 1.66100742 1.66100742 1 [/CIF]
CaGaNbRe
F-43m
216
cubic
-43m
8,807.81943
false
[CIF] data_Mg2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65672666 _cell_length_b 5.65672666 _cell_length_c 18.45252446 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2Si _chemical_formula_sum 'Mg16 Si8' _cell_volume 511.34829075 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.26591266 11.54436744 1 Mg Mg1 1 2.82836333 1.63295633 6.90815702 1 Mg Mg2 1 2.82836333 1.63295633 2.31810521 1 Mg Mg3 1 -0.00000000 3.26591266 16.13441925 1 Mg Mg4 1 1.41418167 2.44943449 9.22626223 1 Mg Mg5 1 2.82836333 0.00000000 9.22626223 1 Mg Mg6 1 -1.41418167 2.44943449 9.22626223 1 Mg Mg7 1 1.41418167 2.44943449 0.00000000 1 Mg Mg8 1 2.82836333 0.00000000 0.00000000 1 Mg Mg9 1 -1.41418167 2.44943449 0.00000000 1 Mg Mg10 1 -1.44967095 4.10288057 13.83939335 1 Mg Mg11 1 0.00000000 1.59197683 13.83939335 1 Mg Mg12 1 1.44967095 4.10288057 13.83939335 1 Mg Mg13 1 4.27803428 0.79598842 4.61313111 1 Mg Mg14 1 2.82836333 3.30689216 4.61313111 1 Mg Mg15 1 1.37869238 0.79598842 4.61313111 1 Si Si16 1 0.00000000 0.00000000 11.27438985 1 Si Si17 1 0.00000000 0.00000000 7.17813461 1 Si Si18 1 0.00000000 0.00000000 2.04812762 1 Si Si19 1 0.00000000 0.00000000 16.40439684 1 Si Si20 1 -0.00000000 3.26591266 5.84407688 1 Si Si21 1 2.82836333 1.63295633 12.60844758 1 Si Si22 1 2.82836333 1.63295633 15.07033911 1 Si Si23 1 -0.00000000 3.26591266 3.38218535 1 [/CIF]
Mg16Si8
P6_3/mmc
194
hexagonal
6/mmm
1,992.471688
false
[CIF] data_Fe3B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.47068589 _cell_length_b 3.42416148 _cell_length_c 4.52982228 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.90269277 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe3B _chemical_formula_sum 'Fe3 B1' _cell_volume 37.35480661 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 0.78174033 1.71208074 3.40741987 1 Fe Fe2 1 -0.50574543 0.00000000 2.20772372 1 Fe Fe3 1 0.67745469 1.71208074 1.00802758 1 [/CIF]
BFe3
P2/m
10
monoclinic
2/m
7,928.042661
false
[CIF] data_NbCdO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01905600 _cell_length_b 4.01905600 _cell_length_c 4.01905600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCdO3 _chemical_formula_sum 'Nb1 Cd1 O3' _cell_volume 64.91905249 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 2.00952800 2.00952800 2.00952800 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 O O2 1 0.00000000 0.00000000 2.00952800 1 O O3 1 2.00952800 0.00000000 0.00000000 1 O O4 1 0.00000000 2.00952800 0.00000000 1 [/CIF]
CdNbO3
Pm-3m
221
cubic
m-3m
6,479.460199
false
[CIF] data_P2RhPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66106360 _cell_length_b 4.66106360 _cell_length_c 4.66106360 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P2RhPb _chemical_formula_sum 'P2 Rh1 Pb1' _cell_volume 71.60446253 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.64793484 1.64793484 1.64793484 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 4.94380452 4.94380452 4.94380452 1 Rh Rh3 1 3.29586968 3.29586968 3.29586968 1 [/CIF]
P2PbRh
F-43m
216
cubic
-43m
8,628.073717
false
[CIF] data_Y2TaAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35533300 _cell_length_b 3.35533300 _cell_length_c 8.35659335 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2TaAu _chemical_formula_sum 'Y2 Ta1 Au1' _cell_volume 94.08069681 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 0.00000000 4.17829668 1 Ta Ta1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 1.67766650 1.67766650 2.16270784 1 Y Y3 1 1.67766650 1.67766650 6.19388551 1 [/CIF]
AuTaY2
P4/mmm
123
tetragonal
4/mmm
9,808.704479
false
[CIF] data_In2NiSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33719571 _cell_length_b 5.33719571 _cell_length_c 5.33719571 _cell_angle_alpha 131.01570059 _cell_angle_beta 131.01570059 _cell_angle_gamma 71.78813530 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2NiSn _chemical_formula_sum 'In2 Ni1 Sn1' _cell_volume 84.67047525 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.32367478 1 In In1 1 0.00000000 2.21263355 2.16183739 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 2.21263355 -0.00000000 2.16183739 1 [/CIF]
In2NiSn
I-4m2
119
tetragonal
-42m
7,982.768767
false
[CIF] data_EuGdTi2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.28035218 _cell_length_b 7.28035218 _cell_length_c 7.28035218 _cell_angle_alpha 120.36134436 _cell_angle_beta 119.77208085 _cell_angle_gamma 89.88524823 _symmetry_Int_Tables_number 1 _chemical_formula_structural EuGdTi2O7 _chemical_formula_sum 'Eu2 Gd2 Ti4 O14' _cell_volume 272.57667328 _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 Eu Eu0 1 1.81013821 -1.82635464 2.57656950 1 Eu Eu1 1 1.81013821 1.82635464 -2.57656950 1 Gd Gd2 1 3.62027641 -0.00000000 -0.00000000 1 Gd Gd3 1 0.00000000 -0.00000000 5.15313900 1 Ti Ti4 1 -1.81013821 1.82635464 2.57656950 1 Ti Ti5 1 1.81013821 1.82635464 2.57656950 1 Ti Ti6 1 0.00000000 3.65270928 0.00000000 1 Ti Ti7 1 0.00000000 0.00000000 0.00000000 1 O O8 1 3.62027641 1.82635464 -1.26783709 1 O O9 1 0.00000000 1.82635464 6.42097609 1 O O10 1 3.62027641 1.82635464 1.78672727 1 O O11 1 0.00000000 5.47906392 0.77755714 1 O O12 1 1.46285957 4.01676020 -1.28073025 1 O O13 1 2.15741684 3.28865835 3.87240875 1 O O14 1 2.15741684 0.36405092 3.87240875 1 O O15 1 -2.15741684 3.28865835 3.87240875 1 O O16 1 0.00000000 1.82635464 3.36641173 1 O O17 1 3.62027641 -1.82635464 4.37558186 1 O O18 1 2.15741684 -0.36405092 6.43386925 1 O O19 1 1.46285957 0.36405092 1.28073025 1 O O20 1 1.46285957 3.28865835 1.28073025 1 O O21 1 5.77769325 0.36405092 1.28073025 1 [/CIF]
Eu2Gd2O14Ti4
Imma
74
orthorhombic
mmm
6,298.450743
false
[CIF] data_Sn2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.52840002 _cell_length_b 5.40625686 _cell_length_c 10.21518449 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn2Bi _chemical_formula_sum 'Sn8 Bi4' _cell_volume 360.53683995 _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 Bi Bi0 1 1.47472985 1.35156422 9.21876199 1 Bi Bi1 1 1.78947016 4.05469265 4.11116975 1 Bi Bi2 1 4.73892986 1.35156422 6.10401474 1 Bi Bi3 1 5.05367017 4.05469265 0.99642250 1 Sn Sn4 1 3.93934096 1.35156422 2.76073748 1 Sn Sn5 1 5.85325907 4.05469265 7.86832972 1 Sn Sn6 1 0.67514095 1.35156422 2.34685477 1 Sn Sn7 1 2.58905906 4.05469265 7.45444701 1 Sn Sn8 1 4.64206062 1.35156422 9.42257770 1 Sn Sn9 1 5.15053941 4.05469265 4.31498546 1 Sn Sn10 1 1.37786061 1.35156422 5.90019903 1 Sn Sn11 1 1.88633940 4.05469265 0.79260679 1 [/CIF]
Bi4Sn8
Pnma
62
orthorhombic
mmm
8,224.017314
false
[CIF] data_CrReP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68530983 _cell_length_b 4.68530983 _cell_length_c 2.85863554 _cell_angle_alpha 106.52882753 _cell_angle_beta 106.52882753 _cell_angle_gamma 105.45412868 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrReP2 _chemical_formula_sum 'Cr1 Re1 P2' _cell_volume 53.39485795 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 P P1 1 0.74729280 1.86419022 1.26178691 1 P P2 1 0.74729280 -1.86419023 1.26178691 1 Re Re3 1 2.83748258 0.00000000 0.00000000 1 [/CIF]
CrP2Re
C2/m
12
monoclinic
2/m
9,334.453843
false
[CIF] data_BaZrHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.20557776 _cell_length_b 7.20557776 _cell_length_c 7.20557776 _cell_angle_alpha 149.83161177 _cell_angle_beta 149.83161177 _cell_angle_gamma 43.18863458 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaZrHg _chemical_formula_sum 'Ba1 Zr1 Hg1' _cell_volume 94.23320996 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.06942213 1 Hg Hg1 1 -0.00000000 0.00000000 9.34815518 1 Zr Zr2 1 0.00000000 -0.00000000 3.98210232 1 [/CIF]
BaHgZr
I4mm
107
tetragonal
4mm
7,562.154263
false
[CIF] data_ZrSi2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13246143 _cell_length_b 3.13246143 _cell_length_c 6.26668131 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSi2Ru _chemical_formula_sum 'Zr1 Si2 Ru1' _cell_volume 61.49064858 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ru Ru0 1 1.56623071 1.56623071 5.11270554 1 Si Si1 1 0.00000000 0.00000000 6.20380538 1 Si Si2 1 1.56623071 1.56623071 1.33414430 1 Zr Zr3 1 0.00000000 0.00000000 3.01604806 1 [/CIF]
RuSi2Zr
P4mm
99
tetragonal
4mm
6,709.733085
false
[CIF] data_HfSiSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88180863 _cell_length_b 4.88180863 _cell_length_c 3.00064863 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSiSb _chemical_formula_sum 'Hf1 Si1 Sb1' _cell_volume 61.93088371 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 2.44090434 1.40925675 2.67437535 1 Sb Sb1 1 0.00000002 2.81851351 1.30337830 1 Si Si2 1 0.00000000 0.00000000 2.02354361 1 [/CIF]
HfSbSi
P3m1
156
trigonal
3m
8,803.587023
false
[CIF] data_Mn2OsPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.63242707 _cell_length_b 2.63242707 _cell_length_c 7.44163201 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2OsPd _chemical_formula_sum 'Mn2 Os1 Pd1' _cell_volume 51.56807117 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.31621354 1.31621354 1.93283480 1 Mn Mn1 1 1.31621354 1.31621354 5.50879721 1 Os Os2 1 0.00000000 0.00000000 3.72081601 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mn2OsPd
P4/mmm
123
tetragonal
4/mmm
13,092.413125
false
[CIF] data_PbW2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24038618 _cell_length_b 3.24038618 _cell_length_c 8.71537582 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PbW2Br _chemical_formula_sum 'Pb1 W2 Br1' _cell_volume 91.51234027 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.79325368 1 Pb Pb1 1 1.62019309 1.62019309 7.00259356 1 W W2 1 0.00000000 0.00000000 0.46822607 1 W W3 1 1.62019309 1.62019309 1.80899042 1 [/CIF]
BrPbW2
P4mm
99
tetragonal
4mm
11,881.39664
false
[CIF] data_Sr2TiTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.74755561 _cell_length_b 5.74755561 _cell_length_c 5.74755561 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2TiTl _chemical_formula_sum 'Sr2 Ti1 Tl1' _cell_volume 134.25626128 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.09620333 6.09620333 6.09620333 1 Sr Sr1 1 2.03206778 2.03206777 2.03206778 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 4.06413555 4.06413555 4.06413555 1 [/CIF]
Sr2TiTl
Fm-3m
225
cubic
m-3m
5,287.383523
false
[CIF] data_AlCrIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79068798 _cell_length_b 2.79068798 _cell_length_c 6.96208089 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCrIr2 _chemical_formula_sum 'Al1 Cr1 Ir2' _cell_volume 54.22026390 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cr Cr1 1 0.00000000 0.00000000 3.48104045 1 Ir Ir2 1 1.39534399 1.39534399 5.20637727 1 Ir Ir3 1 1.39534399 1.39534399 1.75570362 1 [/CIF]
AlCrIr2
P4/mmm
123
tetragonal
4/mmm
14,192.412685
false
[CIF] data_LiVGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10603499 _cell_length_b 4.10603499 _cell_length_c 2.77764472 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiVGe _chemical_formula_sum 'Li1 V1 Ge1' _cell_volume 40.55576694 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.05301751 1.18531019 0.40154301 1 Li Li1 1 0.00000000 0.00000000 0.51599323 1 V V2 1 0.00000002 2.37062039 1.86010851 1 [/CIF]
GeLiV
P3m1
156
trigonal
3m
5,344.189666
false
[CIF] data_VInSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87172743 _cell_length_b 4.87172743 _cell_length_c 3.41812499 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VInSe2 _chemical_formula_sum 'V1 In1 Se2' _cell_volume 81.12484930 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.43586371 2.43586371 0.00000000 1 Se Se1 1 2.43586371 0.00000000 1.70906249 1 Se Se2 1 0.00000000 2.43586371 1.70906249 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InSe2V
P4/mmm
123
tetragonal
4/mmm
6,625.373846
false
[CIF] data_TaGa2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.76620101 _cell_length_b 8.76620101 _cell_length_c 8.76620101 _cell_angle_alpha 19.16947772 _cell_angle_beta 19.16947772 _cell_angle_gamma 19.16947772 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaGa2Os _chemical_formula_sum 'Ta1 Ga2 Os1' _cell_volume 63.49011887 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 19.48369427 1 Ga Ga1 1 0.00000000 0.00000000 6.32425842 1 Os Os2 1 0.00000000 0.00000000 12.90397634 1 Ta Ta3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ga2OsTa
R-3m
166
trigonal
-3m
13,355.005719
false
[CIF] data_HfTl2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18424795 _cell_length_b 5.18424795 _cell_length_c 5.18424795 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTl2Cl _chemical_formula_sum 'Hf1 Tl2 Cl1' _cell_volume 98.52405902 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 5.49872532 5.49872532 5.49872532 1 Tl Tl2 1 3.66581688 3.66581688 3.66581688 1 Tl Tl3 1 1.83290844 1.83290844 1.83290844 1 [/CIF]
ClHfTl2
F-43m
216
cubic
-43m
10,495.239723
false
[CIF] data_UOs2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56315145 _cell_length_b 4.56315145 _cell_length_c 4.56315145 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural UOs2Rh _chemical_formula_sum 'U1 Os2 Rh1' _cell_volume 67.18613417 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.83995301 4.83995301 4.83995301 1 Os Os1 1 1.61331767 1.61331767 1.61331767 1 Rh Rh2 1 -0.00000000 0.00000000 0.00000000 1 U U3 1 3.22663534 3.22663534 3.22663534 1 [/CIF]
Os2RhU
Fm-3m
225
cubic
m-3m
17,829.62534
false
[CIF] data_KCrGa3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38536158 _cell_length_b 5.38536158 _cell_length_c 5.38536158 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCrGa3 _chemical_formula_sum 'K1 Cr1 Ga3' _cell_volume 156.18689927 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.69268079 2.69268079 2.69268079 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Ga Ga2 1 0.00000000 2.69268079 0.00000000 1 Ga Ga3 1 0.00000000 0.00000000 2.69268079 1 Ga Ga4 1 2.69268079 0.00000000 0.00000000 1 [/CIF]
CrGa3K
Pm-3m
221
cubic
m-3m
3,192.323481
false
[CIF] data_YZrPbAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17629776 _cell_length_b 5.17629776 _cell_length_c 5.17629776 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZrPbAu _chemical_formula_sum 'Y1 Zr1 Pb1 Au1' _cell_volume 98.07148578 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 5.49029288 5.49029288 5.49029288 1 Pb Pb1 1 3.66019525 3.66019525 3.66019525 1 Y Y2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 1.83009763 1.83009763 1.83009763 1 [/CIF]
AuPbYZr
F-43m
216
cubic
-43m
9,893.263291
false