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_YCoP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50967410 _cell_length_b 5.50967410 _cell_length_c 5.50967410 _cell_angle_alpha 147.01021348 _cell_angle_beta 147.01021348 _cell_angle_gamma 47.34865972 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCoP _chemical_formula_sum 'Y1 Co1 P1' _cell_volume 49.39474737 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.42965934 1 P P1 1 0.00000000 0.00000000 6.30855802 1 Y Y2 1 0.00000000 -0.00000000 3.35377098 1 [/CIF]
CoPY
I4mm
107
tetragonal
4mm
6,011.279892
false
[CIF] data_TaTiAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52347663 _cell_length_b 4.52347663 _cell_length_c 4.52347663 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTiAs2 _chemical_formula_sum 'Ta1 Ti1 As2' _cell_volume 65.44885529 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 4.79787150 4.79787150 4.79787150 1 As As1 1 1.59929050 1.59929050 1.59929050 1 Ta Ta2 1 3.19858100 3.19858100 3.19858100 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2TaTi
Fm-3m
225
cubic
m-3m
9,607.143347
false
[CIF] data_Na2TlCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11299877 _cell_length_b 5.03624426 _cell_length_c 5.62009810 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2TlCo _chemical_formula_sum 'Na2 Tl1 Co1' _cell_volume 88.11089868 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Na Na1 1 1.55649938 2.51812213 1.33784693 1 Na Na2 1 1.55649938 2.51812213 4.28225117 1 Tl Tl3 1 0.00000000 0.00000000 2.81004905 1 [/CIF]
CoNa2Tl
Pmmm
47
orthorhombic
mmm
5,828.996804
false
[CIF] data_Mn4NbAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75482373 _cell_length_b 4.75482373 _cell_length_c 4.75482373 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn4NbAl _chemical_formula_sum 'Mn4 Nb1 Al1' _cell_volume 76.01306868 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 2.51537110 4.20896510 2.51537110 1 Mn Mn2 1 4.20896510 2.51537110 2.51537110 1 Mn Mn3 1 4.20896510 4.20896510 4.20896510 1 Mn Mn4 1 2.51537110 2.51537110 4.20896510 1 Nb Nb5 1 1.68108405 1.68108405 1.68108405 1 [/CIF]
AlMn4Nb
F-43m
216
cubic
-43m
7,419.588002
false
[CIF] data_LaZnCr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20549238 _cell_length_b 5.20549238 _cell_length_c 2.67428699 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 110.94496907 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZnCr2 _chemical_formula_sum 'La1 Zn1 Cr2' _cell_volume 67.67733819 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.47524161 2.14428308 1.33714349 1 Cr Cr1 1 1.47524161 -2.14428308 1.33714349 1 La La2 1 2.95048321 -0.00000000 0.00000000 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr2LaZn
Cmmm
65
orthorhombic
mmm
7,563.936882
false
[CIF] data_Al3Cu3Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.74864437 _cell_length_b 7.01175759 _cell_length_c 9.67281006 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al3Cu3Ni _chemical_formula_sum 'Al6 Cu6 Ni2' _cell_volume 186.42240479 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 1.35483824 5.90559315 1 Al Al1 1 0.00000000 5.65691935 5.90559315 1 Al Al2 1 1.37432218 4.86071703 3.76721691 1 Al Al3 1 1.37432218 2.15104056 3.76721691 1 Al Al4 1 0.00000000 0.00000000 9.47404233 1 Al Al5 1 1.37432218 3.50587880 0.19876773 1 Cu Cu6 1 0.00000000 2.18010612 8.24738318 1 Cu Cu7 1 0.00000000 4.83165147 8.24738318 1 Cu Cu8 1 1.37432218 5.68598491 1.42542688 1 Cu Cu9 1 1.37432218 1.32577268 1.42542688 1 Cu Cu10 1 0.00000000 0.00000000 3.25789596 1 Cu Cu11 1 1.37432218 3.50587880 6.41491410 1 Ni Ni12 1 0.00000000 3.50587880 2.23371011 1 Ni Ni13 1 1.37432218 0.00000000 7.43909995 1 [/CIF]
Al6Cu6Ni2
Pmmn
59
orthorhombic
mmm
5,883.801656
false
[CIF] data_BeAgGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90050286 _cell_length_b 3.63848909 _cell_length_c 6.17422501 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeAgGe2 _chemical_formula_sum 'Be1 Ag1 Ge2' _cell_volume 65.15936266 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 3.08711251 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Ge Ge2 1 1.45025143 1.81924455 1.32058782 1 Ge Ge3 1 1.45025143 1.81924455 4.85363719 1 [/CIF]
AgBeGe2
Pmmm
47
orthorhombic
mmm
6,680.967067
false
[CIF] data_FeRuPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70496148 _cell_length_b 4.70496148 _cell_length_c 4.70496148 _cell_angle_alpha 146.89763276 _cell_angle_beta 134.09093953 _cell_angle_gamma 57.75807077 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeRuPt _chemical_formula_sum 'Fe1 Ru1 Pt1' _cell_volume 40.52929177 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.12996961 1 Pt Pt1 1 0.00000000 0.00000000 5.47849486 1 Ru Ru2 1 0.00000000 0.00000000 2.87096994 1 [/CIF]
FePtRu
Imm2
44
orthorhombic
mm2
14,421.867874
false
[CIF] data_YHfCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.84947145 _cell_length_b 5.52562707 _cell_length_c 5.52562707 _cell_angle_alpha 38.94106632 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YHfCo2 _chemical_formula_sum 'Y1 Hf1 Co2' _cell_volume 73.87267522 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.91531764 1 Co Co1 1 1.92473573 -0.00000000 8.51134034 1 Hf Hf2 1 1.92473573 -0.00000000 5.28765043 1 Y Y3 1 0.00000000 -0.00000000 2.33385787 1 [/CIF]
Co2HfY
Amm2
38
orthorhombic
mm2
8,660.102026
false
[CIF] data_CaYHfGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45415189 _cell_length_b 5.45415189 _cell_length_c 5.45415189 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaYHfGa _chemical_formula_sum 'Ca1 Y1 Hf1 Ga1' _cell_volume 114.72727751 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.85666779 3.85666779 3.85666779 1 Hf Hf2 1 1.92833389 1.92833390 1.92833390 1 Y Y3 1 5.78500169 5.78500169 5.78500169 1 [/CIF]
CaGaHfY
F-43m
216
cubic
-43m
5,459.469786
false
[CIF] data_KZrPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30096230 _cell_length_b 5.30096230 _cell_length_c 2.95560457 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZrPd2 _chemical_formula_sum 'K1 Zr1 Pd2' _cell_volume 83.05308340 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 0.00000000 2.65048115 1.47780229 1 Pd Pd2 1 2.65048115 0.00000000 1.47780229 1 Zr Zr3 1 2.65048115 2.65048115 0.00000000 1 [/CIF]
KPd2Zr
P4/mmm
123
tetragonal
4/mmm
6,861.086693
false
[CIF] data_Hf2MoRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13345368 _cell_length_b 3.13345368 _cell_length_c 7.44294241 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2MoRu _chemical_formula_sum 'Hf2 Mo1 Ru1' _cell_volume 73.07876796 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.26011405 1 Hf Hf1 1 1.56672684 1.56672684 1.97969905 1 Mo Mo2 1 0.00000000 0.00000000 3.94178870 1 Ru Ru3 1 1.56672684 1.56672684 5.42575422 1 [/CIF]
Hf2MoRu
P4mm
99
tetragonal
4mm
12,588.543484
false
[CIF] data_ZrAs2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21011669 _cell_length_b 3.21011669 _cell_length_c 6.64262300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAs2W _chemical_formula_sum 'Zr1 As2 W1' _cell_volume 68.45122789 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.60505834 1.60505834 1.81967184 1 As As1 1 1.60505834 1.60505834 4.82295116 1 W W2 1 0.00000000 0.00000000 3.32131150 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2WZr
P4/mmm
123
tetragonal
4/mmm
10,307.737601
false
[CIF] data_Be2BiB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85425272 _cell_length_b 3.60340454 _cell_length_c 4.23957485 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.28466063 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2BiB _chemical_formula_sum 'Be2 Bi1 B1' _cell_volume 58.86624614 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.98565865 0.00000000 0.01262512 1 Be Be1 1 3.65312125 1.80170227 0.09073377 1 Be Be2 1 0.94498359 0.00000000 4.20138628 1 Bi Bi3 1 1.90929346 1.80170227 2.05301871 1 [/CIF]
BBe2Bi
Pm
6
monoclinic
m
6,708.46865
false
[CIF] data_ScCrAgPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59312685 _cell_length_b 4.59312685 _cell_length_c 4.59312685 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCrAgPd _chemical_formula_sum 'Sc1 Cr1 Ag1 Pd1' _cell_volume 68.51889020 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62391557 1.62391557 1.62391557 1 Cr Cr1 1 4.87174671 4.87174671 4.87174671 1 Pd Pd2 1 3.24783114 3.24783114 3.24783114 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgCrPdSc
F-43m
216
cubic
-43m
7,542.832781
false
[CIF] data_CaAgO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.94361505 _cell_length_b 5.94361505 _cell_length_c 5.94361505 _cell_angle_alpha 56.53317851 _cell_angle_beta 56.53317851 _cell_angle_gamma 56.53317851 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaAgO3 _chemical_formula_sum 'Ca2 Ag2 O6' _cell_volume 136.57434835 _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 Ag Ag0 1 0.00000000 0.00000000 2.33687587 1 Ag Ag1 1 -0.00000000 -0.00000000 12.59180519 1 Ca Ca2 1 0.00000000 0.00000000 5.45261163 1 Ca Ca3 1 0.00000000 0.00000000 9.47606943 1 O O4 1 -0.96026682 1.88790650 6.30249363 1 O O5 1 -1.15484158 -1.77556871 6.30249363 1 O O6 1 2.11510840 -0.11233779 6.30249363 1 O O7 1 -2.11510840 0.11233779 8.62618743 1 O O8 1 1.15484158 1.77556871 8.62618743 1 O O9 1 0.96026682 -1.88790650 8.62618743 1 [/CIF]
Ag2Ca2O6
R-3
148
trigonal
-3
4,764.779576
false
[CIF] data_HfTaTiPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62765826 _cell_length_b 4.62765826 _cell_length_c 4.62765826 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTaTiPt _chemical_formula_sum 'Hf1 Ta1 Ti1 Pt1' _cell_volume 70.07592570 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63612427 1.63612427 1.63612427 1 Pt Pt1 1 3.27224854 3.27224854 3.27224854 1 Ta Ta2 1 4.90837281 4.90837281 4.90837281 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfPtTaTi
F-43m
216
cubic
-43m
14,274.378234
false
[CIF] data_BaNaOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25359804 _cell_length_b 4.56984972 _cell_length_c 5.36450006 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNaOs2 _chemical_formula_sum 'Ba1 Na1 Os2' _cell_volume 79.76182287 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 1.62679902 2.28492486 0.00000000 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 0.00000000 2.28492486 2.68225003 1 Os Os3 1 1.62679902 0.00000000 2.68225003 1 [/CIF]
BaNaOs2
Pmmm
47
orthorhombic
mmm
11,258.280207
false
[CIF] data_BaSi2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88661393 _cell_length_b 4.88661393 _cell_length_c 4.88661393 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSi2Ni _chemical_formula_sum 'Ba1 Si2 Ni1' _cell_volume 82.51047539 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.45535785 3.45535785 3.45535785 1 Ni Ni1 1 0.00000000 -0.00000000 0.00000000 1 Si Si2 1 1.72767893 1.72767893 1.72767893 1 Si Si3 1 5.18303678 5.18303678 5.18303678 1 [/CIF]
BaNiSi2
Fm-3m
225
cubic
m-3m
5,075.400063
false
[CIF] data_InReRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.85484816 _cell_length_b 3.73455711 _cell_length_c 5.91764132 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InReRu2 _chemical_formula_sum 'In1 Re1 Ru2' _cell_volume 63.09148629 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Re Re1 1 0.00000000 0.00000000 2.95882066 1 Ru Ru2 1 1.42742408 1.86727855 4.30721554 1 Ru Ru3 1 1.42742408 1.86727855 1.61042579 1 [/CIF]
InReRu2
Pmmm
47
orthorhombic
mmm
13,243.697438
false
[CIF] data_Sr3MnAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59119129 _cell_length_b 5.59119129 _cell_length_c 5.59119129 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr3MnAs _chemical_formula_sum 'Sr3 Mn1 As1' _cell_volume 174.78857945 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sr Sr0 1 0.00000000 2.79559565 0.00000000 1 Sr Sr1 1 0.00000000 0.00000000 2.79559565 1 Sr Sr2 1 2.79559565 0.00000000 0.00000000 1 As As3 1 2.79559565 2.79559565 2.79559565 1 Mn Mn4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsMnSr3
Pm-3m
221
cubic
m-3m
3,730.943491
false
[CIF] data_BaLiMgAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30419395 _cell_length_b 5.30419395 _cell_length_c 5.30419395 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLiMgAl _chemical_formula_sum 'Ba1 Li1 Mg1 Al1' _cell_volume 105.52204263 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.62594727 5.62594727 5.62594727 1 Ba Ba1 1 1.87531576 1.87531576 1.87531576 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Mg Mg3 1 3.75063151 3.75063151 3.75063151 1 [/CIF]
AlBaLiMg
F-43m
216
cubic
-43m
3,077.328138
false
[CIF] data_CoCuAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33238591 _cell_length_b 5.33238591 _cell_length_c 5.33238591 _cell_angle_alpha 148.90280505 _cell_angle_beta 129.45263983 _cell_angle_gamma 60.54547875 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoCuAu2 _chemical_formula_sum 'Co1 Cu1 Au2' _cell_volume 59.94452292 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 -0.00000000 0.00000000 9.08746091 1 Au Au1 1 1.42937600 0.00000000 2.42249526 1 Co Co2 1 0.00000000 0.00000000 4.72567258 1 Cu Cu3 1 0.00000000 2.27662223 2.18532238 1 [/CIF]
Au2CoCu
Imm2
44
orthorhombic
mm2
14,305.274471
false
[CIF] data_Y2CdSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50463853 _cell_length_b 5.50463853 _cell_length_c 5.50463853 _cell_angle_alpha 126.27267236 _cell_angle_beta 126.27267236 _cell_angle_gamma 79.44044594 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2CdSn _chemical_formula_sum 'Y2 Cd1 Sn1' _cell_volume 104.78430327 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 0.00000000 0.00000000 4.23402511 1 Y Y2 1 0.00000000 2.48737580 2.11701255 1 Y Y3 1 2.48737580 0.00000000 2.11701256 1 [/CIF]
CdSnY2
I4/mmm
139
tetragonal
4/mmm
6,480.443185
false
[CIF] data_YCuIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15813280 _cell_length_b 5.15813280 _cell_length_c 5.15813280 _cell_angle_alpha 143.62418616 _cell_angle_beta 137.78235540 _cell_angle_gamma 56.92462122 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCuIr _chemical_formula_sum 'Y1 Cu1 Ir1' _cell_volume 54.25060681 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.18735076 1 Ir Ir1 1 -0.00000000 -0.00000000 5.90735560 1 Y Y2 1 -0.00000000 -0.00000000 2.97464046 1 [/CIF]
CuIrY
Imm2
44
orthorhombic
mm2
10,549.856013
false
[CIF] data_NaSrYMg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78071010 _cell_length_b 5.78071010 _cell_length_c 5.78071010 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSrYMg _chemical_formula_sum 'Na1 Sr1 Y1 Mg1' _cell_volume 136.59304050 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.04378965 2.04378966 2.04378966 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 4.08757931 4.08757931 4.08757931 1 Y Y3 1 6.13136897 6.13136897 6.13136897 1 [/CIF]
MgNaSrY
F-43m
216
cubic
-43m
2,720.950356
false
[CIF] data_PbBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12273257 _cell_length_b 5.12273257 _cell_length_c 3.87832680 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PbBr2 _chemical_formula_sum 'Pb1 Br2' _cell_volume 101.77656049 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 2.56136629 1.93916340 1 Br Br1 1 2.56136629 0.00000000 1.93916340 1 Pb Pb2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br2Pb
P4/mmm
123
tetragonal
4/mmm
5,987.931984
false
[CIF] data_CaSn4(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.14606003 _cell_length_b 9.14606003 _cell_length_c 9.14606003 _cell_angle_alpha 54.81709277 _cell_angle_beta 54.81709277 _cell_angle_gamma 54.81709277 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaSn4(PO4)6 _chemical_formula_sum 'Ca1 Sn4 P6 O24' _cell_volume 475.70097061 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 0.00000000 -0.00000000 8.11518145 1 Sn Sn2 1 -0.00000000 -0.00000000 15.12576710 1 Sn Sn3 1 -0.00000000 -0.00000000 3.43580239 1 Sn Sn4 1 0.00000000 -0.00000000 19.80514616 1 P P5 1 3.00075859 -0.30392711 9.64969607 1 P P6 1 -1.76358789 -2.44676962 9.64969607 1 P P7 1 -1.23717070 2.75069673 9.64969607 1 P P8 1 -3.00075859 0.30392711 13.59125248 1 P P9 1 1.76358789 2.44676962 13.59125248 1 P P10 1 1.23717070 -2.75069673 13.59125248 1 O O11 1 3.30282126 -0.95372434 11.00687450 1 O O12 1 -2.47736014 -2.38346494 11.00687450 1 O O13 1 -0.82546112 3.33718929 11.00687450 1 O O14 1 -3.30282126 0.95372434 12.23407405 1 O O15 1 2.47736014 2.38346494 12.23407405 1 O O16 1 0.82546112 -3.33718929 12.23407405 1 O O17 1 -0.20230978 1.70521305 16.29031680 1 O O18 1 1.57791271 -0.67740112 16.29031680 1 O O19 1 -1.37560293 -1.02781194 16.29031680 1 O O20 1 0.20230978 -1.70521305 6.95063175 1 O O21 1 -1.57791271 0.67740112 6.95063175 1 O O22 1 1.37560293 1.02781194 6.95063175 1 O O23 1 1.54618866 -0.63153482 9.29248269 1 O O24 1 -1.32001953 -1.02327125 9.29248269 1 O O25 1 -0.22616913 1.65480607 9.29248269 1 O O26 1 -1.54618866 0.63153482 13.94846586 1 O O27 1 1.32001953 1.02327125 13.94846586 1 O O28 1 0.22616913 -1.65480607 13.94846586 1 O O29 1 3.21622954 1.24623167 9.75393172 1 O O30 1 -0.52884649 -3.40845232 9.75393172 1 O O31 1 -2.68738305 2.16222065 9.75393172 1 O O32 1 -3.21622954 -1.24623167 13.48701683 1 O O33 1 0.52884649 3.40845232 13.48701683 1 O O34 1 2.68738305 -2.16222065 13.48701683 1 [/CIF]
CaO24P6Sn4
R-3
148
trigonal
-3
3,786.545549
false
[CIF] data_MgMo2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13605788 _cell_length_b 4.31220304 _cell_length_c 4.59467427 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgMo2Ru _chemical_formula_sum 'Mg1 Mo2 Ru1' _cell_volume 62.13524275 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 0.00000000 2.15610152 2.29733713 1 Mo Mo2 1 1.56802894 0.00000000 2.29733713 1 Ru Ru3 1 1.56802894 2.15610152 0.00000000 1 [/CIF]
MgMo2Ru
Pmmm
47
orthorhombic
mmm
8,479.579701
false
[CIF] data_VSn2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11202863 _cell_length_b 3.50551495 _cell_length_c 8.84371552 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VSn2Pb _chemical_formula_sum 'V1 Sn2 Pb1' _cell_volume 96.47841750 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 1.55601432 0.00000000 4.42185776 1 Sn Sn1 1 1.55601432 1.75275747 7.18568123 1 Sn Sn2 1 1.55601432 1.75275747 1.65803429 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PbSn2V
Pmmm
47
orthorhombic
mmm
8,529.656424
false
[CIF] data_CaZnCr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05245028 _cell_length_b 3.05245028 _cell_length_c 7.22775220 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaZnCr2 _chemical_formula_sum 'Ca1 Zn1 Cr2' _cell_volume 67.34423938 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.50537849 1 Cr Cr1 1 1.52622514 1.52622514 0.58842020 1 Cr Cr2 1 0.00000000 0.00000000 1.55032524 1 Zn Zn3 1 1.52622514 1.52622514 3.19750438 1 [/CIF]
CaCr2Zn
P4mm
99
tetragonal
4mm
5,165.011735
false
[CIF] data_Bi3BrN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.64642926 _cell_length_b 5.64642926 _cell_length_c 5.64642926 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi3BrN _chemical_formula_sum 'Bi3 Br1 N1' _cell_volume 180.02038023 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 2.82321463 0.00000000 2.82321463 1 Bi Bi1 1 2.82321463 2.82321463 0.00000000 1 Bi Bi2 1 0.00000000 2.82321463 2.82321463 1 Br Br3 1 2.82321463 2.82321463 2.82321463 1 N N4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi3BrN
Pm-3m
221
cubic
m-3m
6,649.262376
false
[CIF] data_CaHg2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31696247 _cell_length_b 4.31696247 _cell_length_c 4.77997213 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHg2Pt _chemical_formula_sum 'Ca1 Hg2 Pt1' _cell_volume 89.08034915 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 0.00000000 2.15848123 2.38998606 1 Hg Hg2 1 2.15848123 0.00000000 2.38998606 1 Pt Pt3 1 2.15848123 2.15848123 0.00000000 1 [/CIF]
CaHg2Pt
P4/mmm
123
tetragonal
4/mmm
11,861.99606
false
[CIF] data_TiAlPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82683261 _cell_length_b 5.82683261 _cell_length_c 5.82683261 _cell_angle_alpha 151.06959455 _cell_angle_beta 151.06959455 _cell_angle_gamma 41.37358483 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAlPd _chemical_formula_sum 'Ti1 Al1 Pd1' _cell_volume 46.19236603 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.82696191 1 Pd Pd1 1 -0.00000000 0.00000000 3.72814098 1 Ti Ti2 1 0.00000000 0.00000000 7.24949879 1 [/CIF]
AlPdTi
I4mm
107
tetragonal
4mm
6,516.303791
false
[CIF] data_TlCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.42295046 _cell_length_b 6.79476991 _cell_length_c 4.37491194 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlCl2 _chemical_formula_sum 'Tl2 Cl4' _cell_volume 190.93196536 _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 Cl Cl0 1 1.82690029 4.65694260 0.00000000 1 Cl Cl1 1 4.59605017 2.13782731 0.00000000 1 Cl Cl2 1 5.03837552 5.53521227 2.18745597 1 Cl Cl3 1 1.38457494 1.25955764 2.18745597 1 Tl Tl4 1 0.00000000 0.00000000 0.00000000 1 Tl Tl5 1 3.21147523 3.39738496 2.18745597 1 [/CIF]
Cl4Tl2
Pnnm
58
orthorhombic
mmm
4,788.392938
false
[CIF] data_ScInFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52120429 _cell_length_b 4.52120429 _cell_length_c 4.52120429 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScInFe2 _chemical_formula_sum 'Sc1 In1 Fe2' _cell_volume 65.35027119 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.79546131 4.79546131 4.79546131 1 Fe Fe1 1 3.19697421 3.19697421 3.19697421 1 In In2 1 1.59848711 1.59848711 1.59848711 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Fe2InSc
F-43m
216
cubic
-43m
6,897.850963
false
[CIF] data_HfMgNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46271939 _cell_length_b 4.46271939 _cell_length_c 3.01746244 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.65055771 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMgNi2 _chemical_formula_sum 'Hf1 Mg1 Ni2' _cell_volume 60.09149877 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 3.13765334 -0.00000000 0.00000000 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 1.56882667 -1.58674161 1.50873122 1 Ni Ni3 1 1.56882667 1.58674161 1.50873122 1 [/CIF]
HfMgNi2
Cmmm
65
orthorhombic
mmm
8,847.947824
false
[CIF] data_B2SbIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14923168 _cell_length_b 4.14923168 _cell_length_c 3.02072953 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B2SbIr _chemical_formula_sum 'B2 Sb1 Ir1' _cell_volume 52.00525275 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 2.07461584 1.51036477 1 B B1 1 2.07461584 0.00000000 1.51036477 1 Ir Ir2 1 2.07461584 2.07461584 0.00000000 1 Sb Sb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2IrSb
P4/mmm
123
tetragonal
4/mmm
10,715.749289
false
[CIF] data_CrTcGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17562480 _cell_length_b 3.17562480 _cell_length_c 5.57733122 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrTcGe2 _chemical_formula_sum 'Cr1 Tc1 Ge2' _cell_volume 56.24511483 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 4.34590216 1 Ge Ge1 1 1.58781240 1.58781240 5.43446219 1 Ge Ge2 1 0.00000000 0.00000000 1.46508393 1 Tc Tc3 1 1.58781240 1.58781240 2.69787976 1 [/CIF]
CrGe2Tc
P4mm
99
tetragonal
4mm
8,744.272153
false
[CIF] data_NbPtAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14813391 _cell_length_b 5.14813391 _cell_length_c 2.88674128 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 115.31794826 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbPtAu2 _chemical_formula_sum 'Nb1 Pt1 Au2' _cell_volume 69.15941070 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.37701629 -2.17477512 1.44337064 1 Au Au1 1 1.37701629 2.17477511 1.44337064 1 Nb Nb2 1 -0.00000000 -0.00000000 0.00000000 1 Pt Pt3 1 2.75403259 -0.00000000 0.00000000 1 [/CIF]
Au2NbPt
Cmmm
65
orthorhombic
mmm
16,373.196801
false
[CIF] data_Na2ZrTa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10035387 _cell_length_b 5.10035387 _cell_length_c 5.10035387 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2ZrTa _chemical_formula_sum 'Na2 Zr1 Ta1' _cell_volume 93.81794812 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 1.80324741 1.80324741 1.80324740 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 5.40974222 5.40974222 5.40974222 1 Zr Zr3 1 3.60649481 3.60649481 3.60649481 1 [/CIF]
Na2TaZr
F-43m
216
cubic
-43m
5,631.149159
false
[CIF] data_CaNbSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35312946 _cell_length_b 3.35312946 _cell_length_c 7.02148147 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaNbSe2 _chemical_formula_sum 'Ca1 Nb1 Se2' _cell_volume 78.94586641 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 0.00000000 0.00000000 3.51074074 1 Se Se2 1 1.67656473 1.67656473 5.05131008 1 Se Se3 1 1.67656473 1.67656473 1.97017139 1 [/CIF]
CaNbSe2
P4/mmm
123
tetragonal
4/mmm
6,118.872886
false
[CIF] data_YPdRhSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68600496 _cell_length_b 4.68600496 _cell_length_c 4.68600496 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YPdRhSe _chemical_formula_sum 'Y1 Pd1 Rh1 Se1' _cell_volume 72.76009115 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Y Y0 1 3.31350588 3.31350588 3.31350588 1 Rh Rh1 1 1.65675294 1.65675294 1.65675294 1 Se Se2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 4.97025883 4.97025883 4.97025883 1 [/CIF]
PdRhSeY
F-43m
216
cubic
-43m
8,608.303843
false
[CIF] data_LiPPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32367249 _cell_length_b 4.32367249 _cell_length_c 4.32367249 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiPPd2 _chemical_formula_sum 'Li1 P1 Pd2' _cell_volume 57.15357117 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 P P1 1 4.58594721 4.58594721 4.58594721 1 Pd Pd2 1 3.05729814 3.05729814 3.05729814 1 Pd Pd3 1 1.52864907 1.52864907 1.52864907 1 [/CIF]
LiPPd2
F-43m
216
cubic
-43m
7,285.425388
false
[CIF] data_TmTiCr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57755986 _cell_length_b 4.57755986 _cell_length_c 4.57755986 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TmTiCr2 _chemical_formula_sum 'Tm1 Ti1 Cr2' _cell_volume 67.82457768 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61841181 1.61841181 1.61841181 1 Cr Cr1 1 4.85523543 4.85523543 4.85523543 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 Tm Tm3 1 3.23682362 3.23682362 3.23682362 1 [/CIF]
Cr2TiTm
Fm-3m
225
cubic
m-3m
7,853.937434
false
[CIF] data_BaNiRhAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83586637 _cell_length_b 4.83586637 _cell_length_c 4.83586637 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNiRhAu _chemical_formula_sum 'Ba1 Ni1 Rh1 Au1' _cell_volume 79.96646082 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.12921085 5.12921085 5.12921085 1 Ba Ba1 1 1.70973695 1.70973695 1.70973695 1 Ni Ni2 1 0.00000000 -0.00000000 0.00000000 1 Rh Rh3 1 3.41947390 3.41947390 3.41947390 1 [/CIF]
AuBaNiRh
F-43m
216
cubic
-43m
10,297.427311
false
[CIF] data_Na3Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.61393443 _cell_length_b 5.20677465 _cell_length_c 6.07319195 _cell_angle_alpha 90.00000000 _cell_angle_beta 97.46517268 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na3Os _chemical_formula_sum 'Na3 Os1' _cell_volume 81.95655939 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 1.84735083 2.60338732 1.70273652 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Na Na2 1 -0.02246686 2.60338732 4.31897917 1 Os Os3 1 0.91244199 0.00000000 3.01085785 1 [/CIF]
Na3Os
P2/m
10
monoclinic
2/m
5,251.691627
false
[CIF] data_Sr2GeMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58224438 _cell_length_b 3.58224438 _cell_length_c 9.00777076 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2GeMo _chemical_formula_sum 'Sr2 Ge1 Mo1' _cell_volume 115.59199126 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 5.24756549 1 Mo Mo1 1 1.79112219 1.79112219 5.96638677 1 Sr Sr2 1 0.00000000 0.00000000 8.34082713 1 Sr Sr3 1 1.79112219 1.79112219 2.96464751 1 [/CIF]
GeMoSr2
P4mm
99
tetragonal
4mm
4,939.44196
false
[CIF] data_Mg3Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.86775295 _cell_length_b 5.86775295 _cell_length_c 14.22055572 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg3Rh _chemical_formula_sum 'Mg18 Rh6' _cell_volume 424.02439355 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.32808487 2.49882097 10.66541679 1 Mg Mg1 1 -1.39420839 2.58280216 3.55513893 1 Mg Mg2 1 -0.00000000 1.68782108 13.02008343 1 Mg Mg3 1 -0.00000000 1.68782108 8.31075015 1 Mg Mg4 1 -1.47218055 4.23771258 13.02008343 1 Mg Mg5 1 -1.47218055 4.23771258 8.31075015 1 Mg Mg6 1 1.46169593 0.84391054 1.20047229 1 Mg Mg7 1 1.46169593 0.84391054 5.90980557 1 Mg Mg8 1 2.93387648 0.08398119 10.66541679 1 Mg Mg9 1 -0.00000000 4.99764193 3.55513893 1 Mg Mg10 1 1.53966808 2.49882097 10.66541679 1 Mg Mg11 1 1.39420839 2.58280216 3.55513893 1 Mg Mg12 1 1.47218055 4.23771258 13.02008343 1 Mg Mg13 1 1.47218055 4.23771258 8.31075015 1 Mg Mg14 1 4.40605703 0.84391054 1.20047229 1 Mg Mg15 1 4.40605703 0.84391054 5.90980557 1 Mg Mg16 1 2.93387648 3.39380205 1.20047229 1 Mg Mg17 1 2.93387648 3.39380205 5.90980557 1 Rh Rh18 1 0.00000000 0.00000000 10.66541679 1 Rh Rh19 1 0.00000000 0.00000000 3.55513893 1 Rh Rh20 1 -0.00000000 3.38774875 1.13787639 1 Rh Rh21 1 -0.00000000 3.38774875 5.97240147 1 Rh Rh22 1 2.93387648 1.69387437 13.08267933 1 Rh Rh23 1 2.93387648 1.69387437 8.24815425 1 [/CIF]
Mg18Rh6
P6_3/mmc
194
hexagonal
6/mmm
4,131.226565
false
[CIF] data_Sc2MnW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69614593 _cell_length_b 4.69614593 _cell_length_c 4.69614593 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2MnW _chemical_formula_sum 'Sc2 Mn1 W1' _cell_volume 73.23349364 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 0.00000000 0.00000000 0.00000000 1 Sc Sc1 1 1.66033832 1.66033832 1.66033832 1 Sc Sc2 1 4.98101495 4.98101495 4.98101495 1 W W3 1 3.32067663 3.32067663 3.32067663 1 [/CIF]
MnSc2W
Fm-3m
225
cubic
m-3m
7,452.906329
false
[CIF] data_Cr2ReCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38140863 _cell_length_b 4.38140863 _cell_length_c 2.79395382 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2ReCl _chemical_formula_sum 'Cr2 Re1 Cl1' _cell_volume 53.63480948 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 0.00000000 1 Cr Cr1 1 0.00000000 2.19070432 1.39697691 1 Cr Cr2 1 2.19070432 0.00000000 1.39697691 1 Re Re3 1 2.19070432 2.19070432 0.00000000 1 [/CIF]
ClCr2Re
P4/mmm
123
tetragonal
4/mmm
10,082.224688
false
[CIF] data_CaAlPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63681701 _cell_length_b 4.63681701 _cell_length_c 4.63681701 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaAlPt2 _chemical_formula_sum 'Ca1 Al1 Pt2' _cell_volume 70.49281810 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Ca Ca1 1 3.27872475 3.27872475 3.27872475 1 Pt Pt2 1 4.91808713 4.91808713 4.91808712 1 Pt Pt3 1 1.63936238 1.63936238 1.63936237 1 [/CIF]
AlCaPt2
Fm-3m
225
cubic
m-3m
10,770.518339
false
[CIF] data_YSnMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.98144901 _cell_length_b 2.98144901 _cell_length_c 9.10656451 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YSnMo2 _chemical_formula_sum 'Y1 Sn1 Mo2' _cell_volume 80.94859979 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 1.49072451 1.49072451 2.44422432 1 Mo Mo1 1 1.49072451 1.49072451 6.66234019 1 Sn Sn2 1 0.00000000 0.00000000 4.55328226 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mo2SnY
P4/mmm
123
tetragonal
4/mmm
8,195.878485
false
[CIF] data_HfSiW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35206022 _cell_length_b 3.35206022 _cell_length_c 5.91646157 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSiW2 _chemical_formula_sum 'Hf1 Si1 W2' _cell_volume 66.47918281 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.95823079 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 1.67603011 1.67603011 1.27416289 1 W W3 1 1.67603011 1.67603011 4.64229868 1 [/CIF]
HfSiW2
P4/mmm
123
tetragonal
4/mmm
14,343.94425
false
[CIF] data_LiNiRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48853204 _cell_length_b 5.48853204 _cell_length_c 5.48853204 _cell_angle_alpha 152.12783581 _cell_angle_beta 134.86224832 _cell_angle_gamma 53.88573133 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNiRu2 _chemical_formula_sum 'Li1 Ni1 Ru2' _cell_volume 54.49481084 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 0.00000000 0.00000000 4.89280014 1 Ru Ru2 1 1.32185424 -0.00000000 2.80974303 1 Ru Ru3 1 0.00000000 2.10646435 2.08305711 1 [/CIF]
LiNiRu2
Immm
71
orthorhombic
mmm
8,159.489783
false
[CIF] data_Ba4ZrRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.98048681 _cell_length_b 6.98048681 _cell_length_c 6.98048681 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba4ZrRh _chemical_formula_sum 'Ba4 Zr1 Rh1' _cell_volume 240.51498224 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 6.16388426 6.16388426 3.70801486 1 Ba Ba1 1 6.16388426 3.70801486 6.16388426 1 Ba Ba2 1 3.70801486 6.16388426 6.16388426 1 Ba Ba3 1 3.70801486 3.70801486 3.70801486 1 Rh Rh4 1 7.40392434 7.40392434 7.40392434 1 Zr Zr5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba4RhZr
F-43m
216
cubic
-43m
5,132.765539
false
[CIF] data_K2NbB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14884143 _cell_length_b 5.14884143 _cell_length_c 5.14884143 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2NbB _chemical_formula_sum 'K2 Nb1 B1' _cell_volume 96.51916429 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 3.64078069 3.64078069 3.64078069 1 K K2 1 1.82039035 1.82039035 1.82039034 1 Nb Nb3 1 5.46117104 5.46117104 5.46117104 1 [/CIF]
BK2Nb
F-43m
216
cubic
-43m
3,129.692147
false
[CIF] data_Ti2MoOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42180882 _cell_length_b 4.42180882 _cell_length_c 4.42180882 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2MoOs _chemical_formula_sum 'Ti2 Mo1 Os1' _cell_volume 61.13429191 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ti Ti0 1 4.69003650 4.69003650 4.69003650 1 Ti Ti1 1 1.56334550 1.56334550 1.56334550 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 3.12669100 3.12669100 3.12669100 1 [/CIF]
MoOsTi2
Fm-3m
225
cubic
m-3m
10,373.878599
false
[CIF] data_Mg2ZrTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.81796981 _cell_length_b 2.81796981 _cell_length_c 9.89395588 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 106.78618647 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2ZrTc _chemical_formula_sum 'Mg2 Zr1 Tc1' _cell_volume 75.21962174 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68041640 0.00000000 2.74270232 1 Mg Mg1 1 1.68041640 0.00000000 7.15125356 1 Tc Tc2 1 0.00000000 0.00000000 4.94697794 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mg2TcZr
Cmmm
65
orthorhombic
mmm
5,270.399129
false
[CIF] data_Na2MgHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.37451527 _cell_length_b 3.37451527 _cell_length_c 9.67038676 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2MgHg _chemical_formula_sum 'Na2 Mg1 Hg1' _cell_volume 110.12011055 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.83519338 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Na Na2 1 1.68725763 1.68725763 2.55366387 1 Na Na3 1 1.68725763 1.68725763 7.11672289 1 [/CIF]
HgMgNa2
P4/mmm
123
tetragonal
4/mmm
4,084.844351
false
[CIF] data_In2FeAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.75327819 _cell_length_b 8.75327819 _cell_length_c 8.75327819 _cell_angle_alpha 21.85641238 _cell_angle_beta 21.85641238 _cell_angle_gamma 21.85641238 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2FeAs _chemical_formula_sum 'In2 Fe1 As1' _cell_volume 81.47402485 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 13.40480240 1 Fe Fe1 1 0.00000000 0.00000000 6.16091364 1 In In2 1 -0.00000000 -0.00000000 25.18744166 1 In In3 1 -0.00000000 -0.00000000 19.30414905 1 [/CIF]
AsFeIn2
R3m
160
trigonal
3m
7,345.440434
false
[CIF] data_CsHfF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95076354 _cell_length_b 4.95076354 _cell_length_c 4.95076354 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsHfF3 _chemical_formula_sum 'Cs1 Hf1 F3' _cell_volume 121.34350957 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cs Cs0 1 0.00000000 0.00000000 0.00000000 1 F F1 1 2.47538177 0.00000000 0.00000000 1 F F2 1 0.00000000 2.47538177 0.00000000 1 F F3 1 0.00000000 0.00000000 2.47538177 1 Hf Hf4 1 2.47538177 2.47538177 2.47538177 1 [/CIF]
CsF3Hf
Pm-3m
221
cubic
m-3m
5,041.283933
false
[CIF] data_AgPt2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.19869813 _cell_length_b 8.19869813 _cell_length_c 8.19869813 _cell_angle_alpha 22.78977725 _cell_angle_beta 22.78977725 _cell_angle_gamma 22.78977725 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgPt2Cl _chemical_formula_sum 'Ag1 Pt2 Cl1' _cell_volume 72.55388146 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 11.91830114 1 Cl Cl1 1 -0.00000000 0.00000000 6.13057029 1 Pt Pt2 1 -0.00000000 0.00000000 0.05795268 1 Pt Pt3 1 -0.00000000 0.00000000 17.81440899 1 [/CIF]
AgClPt2
R3m
160
trigonal
3m
12,209.955415
false
[CIF] data_CaTaSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15216740 _cell_length_b 5.50988111 _cell_length_c 5.49153158 _cell_angle_alpha 90.00000000 _cell_angle_beta 93.61997609 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTaSn2 _chemical_formula_sum 'Ca1 Ta1 Sn2' _cell_volume 95.18699268 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.15688283 0.00000000 1.14954589 1 Sn Sn1 1 0.43990122 2.75494056 0.24348171 1 Sn Sn2 1 0.36298805 0.00000000 3.85892737 1 Ta Ta3 1 1.24838857 2.75494056 2.96890719 1 [/CIF]
CaSn2Ta
Pm
6
monoclinic
m
7,997.59791
false
[CIF] data_Y2PdAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57060124 _cell_length_b 3.57060124 _cell_length_c 7.12429385 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2PdAu _chemical_formula_sum 'Y2 Pd1 Au1' _cell_volume 90.82899881 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.56214693 1 Pd Pd1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 1.78530062 1.78530062 1.73931057 1 Y Y3 1 1.78530062 1.78530062 5.38498328 1 [/CIF]
AuPdY2
P4/mmm
123
tetragonal
4/mmm
8,797.284291
false
[CIF] data_Sn2HgPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93106406 _cell_length_b 4.93106406 _cell_length_c 3.69429083 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn2HgPt _chemical_formula_sum 'Sn2 Hg1 Pt1' _cell_volume 89.82813252 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.46553203 2.46553203 0.00000000 1 Pt Pt1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 0.00000000 2.46553203 1.84714541 1 Sn Sn3 1 2.46553203 0.00000000 1.84714541 1 [/CIF]
HgPtSn2
P4/mmm
123
tetragonal
4/mmm
11,703.208008
false
[CIF] data_ZrFe2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83798049 _cell_length_b 3.83798049 _cell_length_c 4.17390773 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrFe2As _chemical_formula_sum 'Zr1 Fe2 As1' _cell_volume 61.48205422 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 0.00000000 1 Fe Fe1 1 0.00000000 1.91899025 2.08695386 1 Fe Fe2 1 1.91899025 0.00000000 2.08695386 1 Zr Zr3 1 1.91899025 1.91899025 0.00000000 1 [/CIF]
AsFe2Zr
P4/mmm
123
tetragonal
4/mmm
7,504.669365
false
[CIF] data_MnBeRuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22575499 _cell_length_b 4.22575499 _cell_length_c 4.22575499 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnBeRuAu _chemical_formula_sum 'Mn1 Be1 Ru1 Au1' _cell_volume 53.35780328 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.49403001 1.49403001 1.49403000 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Mn Mn2 1 4.48209001 4.48209001 4.48209001 1 Ru Ru3 1 2.98806001 2.98806001 2.98806001 1 [/CIF]
AuBeMnRu
F-43m
216
cubic
-43m
11,265.329145
false
[CIF] data_ZnGa2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14160409 _cell_length_b 5.14160409 _cell_length_c 2.97663070 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.63191896 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnGa2As _chemical_formula_sum 'Zn1 Ga2 As1' _cell_volume 74.11624087 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 2.96261635 0.00000000 0.00000000 1 Ga Ga1 1 1.48130818 -2.10113047 1.48831535 1 Ga Ga2 1 1.48130818 2.10113047 1.48831535 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsGa2Zn
Cmmm
65
orthorhombic
mmm
6,267.611702
false
[CIF] data_Hg3S2ICl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.27040957 _cell_length_b 10.27040957 _cell_length_c 13.17243230 _cell_angle_alpha 126.33392538 _cell_angle_beta 126.33392538 _cell_angle_gamma 54.40810498 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg3S2ICl _chemical_formula_sum 'Hg12 S8 I4 Cl4' _cell_volume 842.64905613 _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 Cl Cl0 1 -2.02532378 0.00000000 5.06702069 1 Cl Cl1 1 11.51878344 0.00000000 4.75685524 1 Cl Cl2 1 11.37463358 0.00000000 0.19305143 1 Cl Cl3 1 -1.88117391 -0.00000000 9.63082450 1 Hg Hg4 1 -1.95834136 -2.07095979 6.88425448 1 Hg Hg5 1 11.45180102 -2.07095979 2.93962145 1 Hg Hg6 1 11.45180102 2.07095979 2.93962145 1 Hg Hg7 1 -1.95834136 2.07095979 6.88425448 1 Hg Hg8 1 9.82974407 0.00000000 7.25687529 1 Hg Hg9 1 -0.33628441 0.00000000 2.56700064 1 Hg Hg10 1 4.56716918 2.34761450 0.00000000 1 Hg Hg11 1 4.56716918 -2.34761450 0.00000000 1 Hg Hg12 1 9.13433836 -2.03616979 0.00000000 1 Hg Hg13 1 9.13433836 2.03616979 0.00000000 1 Hg Hg14 1 4.53498438 0.00000000 7.03542212 1 Hg Hg15 1 4.95847528 0.00000000 2.78845381 1 I I16 1 2.29040500 -0.00000000 0.09007194 1 I I17 1 7.20305466 0.00000000 9.73380400 1 I I18 1 2.31799802 0.00000000 4.92231520 1 I I19 1 7.17546164 0.00000000 4.90156074 1 S S20 1 0.46808366 -2.24622979 7.37471097 1 S S21 1 9.02537601 -2.24622979 2.44916496 1 S S22 1 9.02537601 2.24622979 2.44916496 1 S S23 1 0.46808366 2.24622979 7.37471097 1 S S24 1 4.75220393 2.42164921 7.38426795 1 S S25 1 4.74125573 2.42164921 2.43960798 1 S S26 1 4.74125573 -2.42164921 2.43960798 1 S S27 1 4.75220393 -2.42164921 7.38426795 1 [/CIF]
Cl4Hg12I4S8
C2/m
12
monoclinic
2/m
6,528.715014
false
[CIF] data_MnNi2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40903490 _cell_length_b 4.40903490 _cell_length_c 4.54342309 _cell_angle_alpha 102.64924638 _cell_angle_beta 102.64924638 _cell_angle_gamma 38.61629058 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnNi2Sn _chemical_formula_sum 'Mn1 Ni2 Sn1' _cell_volume 53.61769404 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.97012779 -0.00000000 0.88243221 1 Ni Ni1 1 0.00410587 -0.00000000 0.05053227 1 Ni Ni2 1 1.29840102 0.00000000 3.43886676 1 Sn Sn3 1 3.62916212 -0.00000000 2.25730431 1 [/CIF]
MnNi2Sn
Cm
8
monoclinic
m
9,013.344168
false
[CIF] data_MoP2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01447244 _cell_length_b 4.01447244 _cell_length_c 5.16388307 _cell_angle_alpha 102.23060611 _cell_angle_beta 102.23060611 _cell_angle_gamma 43.13392377 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoP2Ru _chemical_formula_sum 'Mo1 P2 Ru1' _cell_volume 55.40283045 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 P P1 1 0.98728243 0.00000000 3.73877486 1 P P2 1 5.30323734 0.00000000 1.28934498 1 Ru Ru3 1 3.14525988 0.00000000 2.51405992 1 [/CIF]
MoP2Ru
C2/m
12
monoclinic
2/m
7,762.099743
false
[CIF] data_ReTePd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95887668 _cell_length_b 3.95887668 _cell_length_c 4.26124482 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReTePd2 _chemical_formula_sum 'Re1 Te1 Pd2' _cell_volume 66.78523115 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 0.00000000 1.97943834 2.13062241 1 Pd Pd1 1 1.97943834 0.00000000 2.13062241 1 Re Re2 1 1.97943834 1.97943834 0.00000000 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pd2ReTe
P4/mmm
123
tetragonal
4/mmm
13,094.480661
false
[CIF] data_FeW2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78025234 _cell_length_b 2.78025234 _cell_length_c 8.68809803 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 115.96080004 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeW2Cl _chemical_formula_sum 'Fe1 W2 Cl1' _cell_volume 60.38069726 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 0.00000000 0.00000000 4.34404901 1 W W2 1 1.47411575 0.00000000 6.38031287 1 W W3 1 1.47411575 0.00000000 2.30778516 1 [/CIF]
ClFeW2
Cmmm
65
orthorhombic
mmm
12,622.426278
false
[CIF] data_Cd3InRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26792395 _cell_length_b 5.26792395 _cell_length_c 5.26792395 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd3InRh _chemical_formula_sum 'Cd3 In1 Rh1' _cell_volume 146.19027734 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.63396198 0.00000000 2.63396198 1 Cd Cd1 1 2.63396198 2.63396198 0.00000000 1 Cd Cd2 1 0.00000000 2.63396198 2.63396198 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 In In4 1 2.63396198 2.63396198 2.63396198 1 [/CIF]
Cd3InRh
Pm-3m
221
cubic
m-3m
6,303.613108
false
[CIF] data_Fe2SnBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82487042 _cell_length_b 4.82487042 _cell_length_c 6.59863053 _cell_angle_alpha 117.87710857 _cell_angle_beta 117.87710857 _cell_angle_gamma 38.92939769 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2SnBr _chemical_formula_sum 'Fe2 Sn1 Br1' _cell_volume 83.81835675 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 0.00000000 1 Fe Fe1 1 5.39467584 -0.00000000 1.98253796 1 Fe Fe2 1 0.43116021 -0.00000000 3.74750300 1 Sn Sn3 1 2.91291803 -0.00000000 2.86502048 1 [/CIF]
BrFe2Sn
C2/m
12
monoclinic
2/m
6,147.482896
false
[CIF] data_BaZnFeTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79955797 _cell_length_b 4.79955797 _cell_length_c 4.79955797 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaZnFeTc _chemical_formula_sum 'Ba1 Zn1 Fe1 Tc1' _cell_volume 78.17875101 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 1.69690000 1.69690000 1.69690000 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 5.09069999 5.09069999 5.09069999 1 Zn Zn3 1 3.39379999 3.39379999 3.39379999 1 [/CIF]
BaFeTcZn
F-43m
216
cubic
-43m
7,592.514566
false
[CIF] data_TaCrInAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61530555 _cell_length_b 4.61530555 _cell_length_c 4.61530555 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCrInAg _chemical_formula_sum 'Ta1 Cr1 In1 Ag1' _cell_volume 69.51625635 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63175693 1.63175693 1.63175692 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 In In2 1 3.26351385 3.26351385 3.26351385 1 Ta Ta3 1 4.89527078 4.89527078 4.89527078 1 [/CIF]
AgCrInTa
F-43m
216
cubic
-43m
10,883.665973
false
[CIF] data_BaCaAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39211509 _cell_length_b 5.39211509 _cell_length_c 5.39211509 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCaAu2 _chemical_formula_sum 'Ba1 Ca1 Au2' _cell_volume 110.85683153 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.71920172 5.71920172 5.71920172 1 Au Au1 1 1.90640057 1.90640057 1.90640057 1 Ba Ba2 1 3.81280114 3.81280114 3.81280114 1 Ca Ca3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2BaCa
Fm-3m
225
cubic
m-3m
8,558.149149
false
[CIF] data_SrTiNbTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09816210 _cell_length_b 5.09816210 _cell_length_c 5.09816210 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTiNbTl _chemical_formula_sum 'Sr1 Ti1 Nb1 Tl1' _cell_volume 93.69705085 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.40741748 5.40741748 5.40741748 1 Sr Sr1 1 1.80247250 1.80247250 1.80247249 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 3.60494499 3.60494499 3.60494499 1 [/CIF]
NbSrTiTl
F-43m
216
cubic
-43m
7,669.852762
false
[CIF] data_LaNiB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96216722 _cell_length_b 3.96216722 _cell_length_c 4.01798505 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 99.60193126 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaNiB2 _chemical_formula_sum 'La1 Ni1 B2' _cell_volume 62.19373109 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.27868014 1.51316535 2.00899252 1 B B1 1 1.27868014 -1.51316534 2.00899252 1 La La2 1 2.55736029 0.00000000 0.00000000 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2LaNi
Cmmm
65
orthorhombic
mmm
5,853.07896
false
[CIF] data_TaPSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39946225 _cell_length_b 4.39946225 _cell_length_c 4.39946225 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaPSe _chemical_formula_sum 'Ta1 P1 Se1' _cell_volume 60.21210199 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 0.00000000 0.00000000 0.00000000 1 Se Se1 1 3.11088959 3.11088959 3.11088959 1 Ta Ta2 1 4.66633439 4.66633439 4.66633438 1 [/CIF]
PSeTa
F-43m
216
cubic
-43m
8,021.98087
false
[CIF] data_Ba2LiMg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.23799180 _cell_length_b 6.23799180 _cell_length_c 6.23799180 _cell_angle_alpha 120.67532148 _cell_angle_beta 120.67532148 _cell_angle_gamma 88.83423536 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2LiMg _chemical_formula_sum 'Ba2 Li1 Mg1' _cell_volume 169.85020425 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.08710483 2.22778529 1 Ba Ba1 1 3.08710483 0.00000000 2.22778529 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Mg Mg3 1 -0.00000000 -0.00000000 4.45557058 1 [/CIF]
Ba2LiMg
I4/mmm
139
tetragonal
4/mmm
2,990.628729
false
[CIF] data_Hf2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.83037389 _cell_length_b 6.40655302 _cell_length_c 3.25131414 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2Ni _chemical_formula_sum 'Hf4 Ni2' _cell_volume 121.44503477 _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 Hf Hf0 1 1.26552125 2.18188847 0.00000000 1 Hf Hf1 1 1.64966570 5.38516498 1.62565707 1 Hf Hf2 1 4.18070819 1.02138804 1.62565707 1 Hf Hf3 1 4.56485264 4.22466455 0.00000000 1 Ni Ni4 1 0.00000000 0.00000000 0.00000000 1 Ni Ni5 1 2.91518694 3.20327651 1.62565707 1 [/CIF]
Hf4Ni2
Pnnm
58
orthorhombic
mmm
11,367.149278
false
[CIF] data_InCu2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.46270057 _cell_length_b 3.46270057 _cell_length_c 6.60534393 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 94.85310633 _symmetry_Int_Tables_number 1 _chemical_formula_structural InCu2Bi _chemical_formula_sum 'In1 Cu2 Bi1' _cell_volume 78.91608168 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 0.00000000 0.00000000 3.30267196 1 Cu Cu1 1 2.34263730 0.00000000 5.21803312 1 Cu Cu2 1 2.34263730 0.00000000 1.38731081 1 In In3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiCu2In
Cmmm
65
orthorhombic
mmm
9,487.560811
false
[CIF] data_MgSc2V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40073848 _cell_length_b 4.40073848 _cell_length_c 4.20377303 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSc2V _chemical_formula_sum 'Mg1 Sc2 V1' _cell_volume 81.41236708 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sc Sc1 1 0.00000000 2.20036924 2.10188651 1 Sc Sc2 1 2.20036924 0.00000000 2.10188651 1 V V3 1 2.20036924 2.20036924 0.00000000 1 [/CIF]
MgSc2V
P4/mmm
123
tetragonal
4/mmm
3,368.713132
false
[CIF] data_TiInRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39528206 _cell_length_b 4.39528206 _cell_length_c 4.39528206 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiInRh _chemical_formula_sum 'Ti1 In1 Rh1' _cell_volume 60.04063179 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 1.55396687 1.55396687 1.55396687 1 Rh Rh1 1 4.66190063 4.66190063 4.66190062 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InRhTi
F-43m
216
cubic
-43m
7,345.415726
false
[CIF] data_NaLaTcPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91546768 _cell_length_b 4.91546768 _cell_length_c 4.91546768 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLaTcPd _chemical_formula_sum 'Na1 La1 Tc1 Pd1' _cell_volume 83.98070906 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 3.47576053 3.47576053 3.47576053 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 5.21364080 5.21364080 5.21364080 1 Tc Tc3 1 1.73788027 1.73788027 1.73788026 1 [/CIF]
LaNaPdTc
F-43m
216
cubic
-43m
7,261.019261
false
[CIF] data_ZrAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.22537042 _cell_length_b 13.22537042 _cell_length_c 13.22537042 _cell_angle_alpha 161.32392333 _cell_angle_beta 161.32392333 _cell_angle_gamma 26.53160106 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAg2 _chemical_formula_sum 'Zr4 Ag8' _cell_volume 237.11265550 _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 Ag Ag0 1 -0.00000000 0.00000000 6.39151244 1 Ag Ag1 1 -0.00000000 0.00000000 19.35341722 1 Ag Ag2 1 -0.00000000 2.14593476 12.82774486 1 Ag Ag3 1 -0.00000000 2.14593476 0.04471997 1 Ag Ag4 1 -0.00000000 0.00000000 10.77256999 1 Ag Ag5 1 0.00000000 0.00000000 14.97235967 1 Ag Ag6 1 2.14593476 0.00000000 4.33633757 1 Ag Ag7 1 2.14593476 0.00000000 8.53612726 1 Zr Zr8 1 -0.00000000 0.00000000 2.16061181 1 Zr Zr9 1 -0.00000000 0.00000000 23.58431785 1 Zr Zr10 1 -0.00000000 2.14593476 8.59684423 1 Zr Zr11 1 -0.00000000 2.14593476 4.27562060 1 [/CIF]
Ag8Zr4
I4_1/amd
141
tetragonal
4/mmm
8,598.777404
false
[CIF] data_In2GaPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80158564 _cell_length_b 4.80158564 _cell_length_c 5.61645008 _cell_angle_alpha 102.85341968 _cell_angle_beta 102.85341968 _cell_angle_gamma 41.81021441 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2GaPd _chemical_formula_sum 'In2 Ga1 Pd1' _cell_volume 83.84213994 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 0.00000000 1 In In1 1 1.17597805 -0.00000000 3.98618176 1 In In2 1 6.45757858 -0.00000000 1.46869704 1 Pd Pd3 1 3.81677831 0.00000000 2.72743940 1 [/CIF]
GaIn2Pd
C2/m
12
monoclinic
2/m
8,036.673234
false
[CIF] data_SrHfSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65260345 _cell_length_b 3.65260345 _cell_length_c 8.13546999 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrHfSb2 _chemical_formula_sum 'Sr1 Hf1 Sb2' _cell_volume 108.53947020 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.06773500 1 Sb Sb1 1 1.82630173 1.82630173 5.77804436 1 Sb Sb2 1 1.82630173 1.82630173 2.35742563 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfSb2Sr
P4/mmm
123
tetragonal
4/mmm
7,796.799846
false
[CIF] data_SrNbZnMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82466397 _cell_length_b 4.82466397 _cell_length_c 4.82466397 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrNbZnMo _chemical_formula_sum 'Sr1 Nb1 Zn1 Mo1' _cell_volume 79.41201475 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.11732891 5.11732891 5.11732892 1 Nb Nb1 1 3.41155261 3.41155261 3.41155261 1 Sr Sr2 1 1.70577631 1.70577631 1.70577630 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MoNbSrZn
F-43m
216
cubic
-43m
7,148.571678
false
[CIF] data_CuAg4P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40787914 _cell_length_b 5.40787914 _cell_length_c 5.40787914 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuAg4P _chemical_formula_sum 'Cu1 Ag4 P1' _cell_volume 111.83195902 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.77873080 4.77873080 2.86916522 1 Ag Ag1 1 4.77873080 2.86916522 4.77873080 1 Ag Ag2 1 2.86916522 4.77873080 4.77873080 1 Ag Ag3 1 2.86916522 2.86916522 2.86916522 1 Cu Cu4 1 5.73592201 5.73592201 5.73592201 1 P P5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag4CuP
F-43m
216
cubic
-43m
7,810.211013
false
[CIF] data_SrTlRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92111875 _cell_length_b 4.92111875 _cell_length_c 4.92111875 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTlRu _chemical_formula_sum 'Sr1 Tl1 Ru1' _cell_volume 84.27068758 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ru Ru0 1 3.47975644 3.47975644 3.47975644 1 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 5.21963466 5.21963466 5.21963466 1 [/CIF]
RuSrTl
F-43m
216
cubic
-43m
7,745.440193
false
[CIF] data_Be2AlHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90877366 _cell_length_b 3.90877366 _cell_length_c 3.70362244 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2AlHg _chemical_formula_sum 'Be2 Al1 Hg1' _cell_volume 56.58583813 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Be Be1 1 0.00000000 1.95438683 1.85181122 1 Be Be2 1 1.95438683 0.00000000 1.85181122 1 Hg Hg3 1 1.95438683 1.95438683 0.00000000 1 [/CIF]
AlBe2Hg
P4/mmm
123
tetragonal
4/mmm
7,207.131754
false
[CIF] data_ZrCo2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90273105 _cell_length_b 3.90273105 _cell_length_c 3.77307444 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCo2Pd _chemical_formula_sum 'Zr1 Co2 Pd1' _cell_volume 57.46886512 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 1.95136553 1.88653722 1 Co Co1 1 1.95136553 0.00000000 1.88653722 1 Pd Pd2 1 1.95136553 1.95136553 0.00000000 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co2PdZr
P4/mmm
123
tetragonal
4/mmm
9,116.542103
false
[CIF] data_CaCoNiAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59584313 _cell_length_b 4.59584313 _cell_length_c 4.59584313 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCoNiAu _chemical_formula_sum 'Ca1 Co1 Ni1 Au1' _cell_volume 68.64052406 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62487592 1.62487592 1.62487592 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Co Co2 1 3.24975184 3.24975184 3.24975184 1 Ni Ni3 1 4.87462776 4.87462776 4.87462776 1 [/CIF]
AuCaCoNi
F-43m
216
cubic
-43m
8,580.140255
false
[CIF] data_MgOsSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30054739 _cell_length_b 4.30054739 _cell_length_c 4.30054739 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgOsSe _chemical_formula_sum 'Mg1 Os1 Se1' _cell_volume 56.24141185 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 4.56141933 4.56141933 4.56141933 1 Se Se2 1 3.04094622 3.04094622 3.04094622 1 [/CIF]
MgOsSe
F-43m
216
cubic
-43m
8,665.49927
false
[CIF] data_NaCr2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82872500 _cell_length_b 4.82872500 _cell_length_c 4.82872500 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCr2Ag _chemical_formula_sum 'Na1 Cr2 Ag1' _cell_volume 79.61271219 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.12163629 5.12163629 5.12163629 1 Cr Cr1 1 1.70721210 1.70721210 1.70721210 1 Cr Cr2 1 3.41442419 3.41442419 3.41442419 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgCr2Na
F-43m
216
cubic
-43m
4,898.437324
false
[CIF] data_ScMoPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.12681695 _cell_length_b 9.12681695 _cell_length_c 9.12681695 _cell_angle_alpha 18.63186295 _cell_angle_beta 18.63186295 _cell_angle_gamma 18.63186295 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScMoPd2 _chemical_formula_sum 'Sc1 Mo1 Pd2' _cell_volume 67.79579486 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.80824703 1 Pd Pd1 1 -0.00000000 0.00000000 26.84248779 1 Pd Pd2 1 -0.00000000 0.00000000 20.21187672 1 Sc Sc3 1 -0.00000000 0.00000000 13.38206271 1 [/CIF]
MoPd2Sc
R3m
160
trigonal
3m
8,664.630494
false