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_NaAuSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87129334 _cell_length_b 3.98444552 _cell_length_c 7.40507595 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaAuSe2 _chemical_formula_sum 'Na1 Au1 Se2' _cell_volume 84.71785942 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.70253798 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Se Se2 1 1.43564667 1.99222276 1.90057924 1 Se Se3 1 1.43564667 1.99222276 5.50449671 1 [/CIF]
AuNaSe2
Pmmm
47
orthorhombic
mmm
7,406.684097
false
[CIF] data_LiCrPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.01494118 _cell_length_b 6.01494118 _cell_length_c 6.01494118 _cell_angle_alpha 154.23080413 _cell_angle_beta 154.23080413 _cell_angle_gamma 36.76422193 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCrPt _chemical_formula_sum 'Li1 Cr1 Pt1' _cell_volume 41.07447082 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.10104621 1 Li Li1 1 0.00000000 -0.00000000 3.73815420 1 Pt Pt2 1 -0.00000000 0.00000000 7.57685140 1 [/CIF]
CrLiPt
I4mm
107
tetragonal
4mm
10,269.601546
false
[CIF] data_CuNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.77000000 _cell_length_b 2.77000000 _cell_length_c 11.08000000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuNi _chemical_formula_sum 'Cu4 Ni4' _cell_volume 85.01573200 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 1.38500000 1.38500000 0.00000000 1 Cu Cu1 1 0.00000000 0.00000000 1.38500000 1 Cu Cu2 1 1.38500000 1.38500000 2.77000000 1 Cu Cu3 1 1.38500000 1.38500000 5.54000000 1 Ni Ni4 1 0.00000000 0.00000000 4.15500000 1 Ni Ni5 1 0.00000000 0.00000000 6.92500000 1 Ni Ni6 1 1.38500000 1.38500000 8.31000000 1 Ni Ni7 1 0.00000000 0.00000000 9.69500000 1 [/CIF]
Cu4Ni4
P4mm
99
tetragonal
4mm
9,550.387647
false
[CIF] data_Na2HoB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81289826 _cell_length_b 4.81289826 _cell_length_c 4.81289826 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2HoB _chemical_formula_sum 'Na2 Ho1 B1' _cell_volume 78.83245417 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ho Ho1 1 3.40323300 3.40323300 3.40323300 1 Na Na2 1 5.10484950 5.10484950 5.10484950 1 Na Na3 1 1.70161650 1.70161650 1.70161650 1 [/CIF]
BHoNa2
Fm-3m
225
cubic
m-3m
4,670.362624
false
[CIF] data_Mg7Si4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42980409 _cell_length_b 6.21263671 _cell_length_c 13.50450705 _cell_angle_alpha 101.30823810 _cell_angle_beta 98.50937313 _cell_angle_gamma 91.08675545 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg7Si4 _chemical_formula_sum 'Mg14 Si8' _cell_volume 441.25047184 _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 Mg Mg0 1 -1.61502457 2.23885551 10.55920984 1 Mg Mg1 1 -0.49887294 -0.79794706 9.89977877 1 Mg Mg2 1 2.51105006 4.13928372 8.05083781 1 Mg Mg3 1 1.78333856 0.86382546 8.57094214 1 Mg Mg4 1 0.13469249 2.32058869 0.04390966 1 Mg Mg5 1 3.19215217 3.54910029 5.13921926 1 Mg Mg6 1 0.76361888 3.67723850 3.12415234 1 Mg Mg7 1 3.10427076 0.39284929 5.67820767 1 Mg Mg8 1 0.99282827 0.99559285 11.98366450 1 Mg Mg9 1 0.63178855 -2.08874712 12.62517136 1 Mg Mg10 1 -0.18355336 5.41513006 0.56432837 1 Mg Mg11 1 1.42398698 0.60186856 3.01656519 1 Mg Mg12 1 0.50641412 2.06606540 5.73881147 1 Mg Mg13 1 0.43703967 -1.01078866 6.04266020 1 Si Si14 1 2.60211666 4.87823422 1.46992995 1 Si Si15 1 1.06874369 3.02860395 10.16215963 1 Si Si16 1 2.29096162 -1.07022802 10.61974207 1 Si Si17 1 4.27383794 1.70744779 3.37372767 1 Si Si18 1 2.92219414 2.49508433 1.51157274 1 Si Si19 1 -0.27533456 3.34815973 8.04928958 1 Si Si20 1 -0.93861503 1.01950199 7.89801308 1 Si Si21 1 4.11037029 5.51411055 3.29670068 1 [/CIF]
Mg14Si8
P1
1
triclinic
1
2,126.067274
false
[CIF] data_CdPdRuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57888993 _cell_length_b 4.57888993 _cell_length_c 4.57888993 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdPdRuAu _chemical_formula_sum 'Cd1 Pd1 Ru1 Au1' _cell_volume 67.88371692 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61888206 1.61888206 1.61888206 1 Cd Cd1 1 4.85664618 4.85664618 4.85664618 1 Pd Pd2 1 3.23776412 3.23776412 3.23776412 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuCdPdRu
F-43m
216
cubic
-43m
12,643.367652
false
[CIF] data_YNiMo4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34068298 _cell_length_b 5.34068298 _cell_length_c 5.34068298 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YNiMo4 _chemical_formula_sum 'Y1 Ni1 Mo4' _cell_volume 107.71480498 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.83366419 2.83366419 4.71920211 1 Mo Mo1 1 2.83366419 4.71920211 2.83366419 1 Mo Mo2 1 4.71920211 2.83366419 2.83366419 1 Mo Mo3 1 4.71920211 4.71920211 4.71920211 1 Ni Ni4 1 0.00000000 0.00000000 0.00000000 1 Y Y5 1 1.88821658 1.88821658 1.88821658 1 [/CIF]
Mo4NiY
F-43m
216
cubic
-43m
8,192.705138
false
[CIF] data_CaBiPtPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21272485 _cell_length_b 5.21272485 _cell_length_c 5.21272485 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaBiPtPb _chemical_formula_sum 'Ca1 Bi1 Pt1 Pb1' _cell_volume 100.15656168 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.84297655 1.84297655 1.84297655 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 5.52892963 5.52892964 5.52892963 1 Pt Pt3 1 3.68595309 3.68595309 3.68595309 1 [/CIF]
BiCaPbPt
F-43m
216
cubic
-43m
10,798.888089
false
[CIF] data_ScBiPt3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03760540 _cell_length_b 5.03760540 _cell_length_c 5.03760540 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScBiPt3 _chemical_formula_sum 'Sc1 Bi1 Pt3' _cell_volume 127.84167067 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 0.00000000 1 Bi Bi1 1 2.51880270 2.51880270 2.51880270 1 Pt Pt2 1 2.51880270 0.00000000 2.51880270 1 Pt Pt3 1 2.51880270 2.51880270 0.00000000 1 Pt Pt4 1 0.00000000 2.51880270 2.51880270 1 [/CIF]
BiPt3Sc
Pm-3m
221
cubic
m-3m
10,900.240657
false
[CIF] data_YMoAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75108532 _cell_length_b 5.75108532 _cell_length_c 5.75108532 _cell_angle_alpha 147.12985741 _cell_angle_beta 142.59077621 _cell_angle_gamma 50.63786969 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMoAu _chemical_formula_sum 'Y1 Mo1 Au1' _cell_volume 62.40377763 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 -0.00000000 -0.00000000 0.21469493 1 Mo Mo1 1 -0.00000000 0.00000000 6.73137539 1 Y Y2 1 0.00000000 -0.00000000 3.45121630 1 [/CIF]
AuMoY
Imm2
44
orthorhombic
mm2
10,160.40491
false
[CIF] data_CaZnAgRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70545342 _cell_length_b 4.70545342 _cell_length_c 4.70545342 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaZnAgRu _chemical_formula_sum 'Ca1 Zn1 Ag1 Ru1' _cell_volume 73.66979093 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66362901 1.66362901 1.66362901 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 3.32725802 3.32725802 3.32725802 1 Zn Zn3 1 4.99088703 4.99088703 4.99088703 1 [/CIF]
AgCaRuZn
F-43m
216
cubic
-43m
7,086.584147
false
[CIF] data_ScTl2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.02433105 _cell_length_b 6.02433105 _cell_length_c 6.02433105 _cell_angle_alpha 139.53398760 _cell_angle_beta 137.78712739 _cell_angle_gamma 59.90437038 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTl2Ge _chemical_formula_sum 'Sc1 Tl2 Ge1' _cell_volume 94.36803387 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.21973565 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 2.08344728 0.00000000 2.65882612 1 Tl Tl3 1 -0.00000000 2.16937130 2.56090952 1 [/CIF]
GeScTl2
Immm
71
orthorhombic
mmm
9,262.215807
false
[CIF] data_CaTaFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45214925 _cell_length_b 4.45214925 _cell_length_c 4.45214925 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTaFe2 _chemical_formula_sum 'Ca1 Ta1 Fe2' _cell_volume 62.40137333 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 1.57407246 1.57407246 1.57407246 1 Fe Fe2 1 4.72221739 4.72221739 4.72221739 1 Ta Ta3 1 3.14814493 3.14814493 3.14814493 1 [/CIF]
CaFe2Ta
Fm-3m
225
cubic
m-3m
8,853.978037
false
[CIF] data_Hf2VBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58495569 _cell_length_b 3.58495569 _cell_length_c 6.41850639 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2VBi _chemical_formula_sum 'Hf2 V1 Bi1' _cell_volume 82.49004917 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.79247785 1.79247785 4.70303899 1 Hf Hf1 1 0.00000000 0.00000000 0.02707711 1 Hf Hf2 1 1.79247785 1.79247785 1.69351957 1 V V3 1 0.00000000 0.00000000 3.20412391 1 [/CIF]
BiHf2V
P4mm
99
tetragonal
4mm
12,418.343143
false
[CIF] data_BaCdCoW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93163303 _cell_length_b 4.93163303 _cell_length_c 4.93163303 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCdCoW _chemical_formula_sum 'Ba1 Cd1 Co1 W1' _cell_volume 84.81199145 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.48719116 3.48719116 3.48719116 1 Cd Cd1 1 1.74359558 1.74359558 1.74359558 1 Co Co2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 5.23078674 5.23078674 5.23078674 1 [/CIF]
BaCdCoW
F-43m
216
cubic
-43m
9,642.906222
false
[CIF] data_Al2ReMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91289492 _cell_length_b 4.91289492 _cell_length_c 4.91289492 _cell_angle_alpha 134.04280218 _cell_angle_beta 134.04280218 _cell_angle_gamma 67.02116285 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2ReMo _chemical_formula_sum 'Al2 Re1 Mo1' _cell_volume 60.27222382 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.91793166 2.04814629 1 Al Al1 1 1.91793166 -0.00000000 2.04814629 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 0.00000000 0.00000000 4.09629257 1 [/CIF]
Al2MoRe
I4/mmm
139
tetragonal
4/mmm
9,260.6028
false
[CIF] data_CrMoAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07294627 _cell_length_b 4.07294627 _cell_length_c 4.07294627 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrMoAs _chemical_formula_sum 'Cr1 Mo1 As1' _cell_volume 47.77613865 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.44000397 1.44000396 1.44000397 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 4.32001190 4.32001190 4.32001190 1 [/CIF]
AsCrMo
F-43m
216
cubic
-43m
7,746.484718
false
[CIF] data_ZrGeAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59867117 _cell_length_b 4.59867117 _cell_length_c 4.59867117 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrGeAs _chemical_formula_sum 'Zr1 Ge1 As1' _cell_volume 68.76731559 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.25175157 3.25175157 3.25175157 1 Ge Ge1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 4.87762736 4.87762736 4.87762735 1 [/CIF]
AsGeZr
F-43m
216
cubic
-43m
5,766.006917
false
[CIF] data_Cd2TePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98191580 _cell_length_b 3.98191580 _cell_length_c 7.15342257 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2TePb _chemical_formula_sum 'Cd2 Te1 Pb1' _cell_volume 113.42218917 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.99095790 1.99095790 7.10841488 1 Cd Cd1 1 0.00000000 0.00000000 1.66051504 1 Pb Pb2 1 1.99095790 1.99095790 3.28563995 1 Te Te3 1 0.00000000 0.00000000 5.82898655 1 [/CIF]
Cd2PbTe
P4mm
99
tetragonal
4mm
8,193.20359
false
[CIF] data_La4Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88830184 _cell_length_b 5.88830184 _cell_length_c 5.88830184 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural La4Co _chemical_formula_sum 'La4 Co1' _cell_volume 157.16227293 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 0.00000000 1 La La1 1 1.69980632 -1.69980632 1.69980632 1 La La2 1 1.69980632 1.69980632 1.69980632 1 La La3 1 1.69980632 1.69980632 -1.69980632 1 La La4 1 -1.69980632 1.69980632 1.69980632 1 [/CIF]
CoLa4
Im-3m
229
cubic
m-3m
6,493.24225
false
[CIF] data_TlFe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77557302 _cell_length_b 5.08820911 _cell_length_c 5.84162444 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlFe3 _chemical_formula_sum 'Tl2 Fe6' _cell_volume 112.22289237 _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 Fe Fe0 1 0.00000000 0.00000000 1.36897178 1 Fe Fe1 1 1.88778651 2.54410456 4.47265266 1 Fe Fe2 1 1.88778651 3.69023292 0.63707746 1 Fe Fe3 1 1.88778651 1.39797619 0.63707746 1 Fe Fe4 1 0.00000000 1.14612836 5.20454698 1 Fe Fe5 1 0.00000000 3.94208075 5.20454698 1 Tl Tl6 1 1.88778651 0.00000000 3.38496626 1 Tl Tl7 1 0.00000000 2.54410456 2.45665818 1 [/CIF]
Fe6Tl2
Pmmn
59
orthorhombic
mmm
11,006.397245
false
[CIF] data_GeP2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19474180 _cell_length_b 3.19474180 _cell_length_c 6.76842156 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeP2Br _chemical_formula_sum 'Ge1 P2 Br1' _cell_volume 69.08104974 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.38421078 1 Ge Ge1 1 0.00000000 0.00000000 0.00000000 1 P P2 1 1.59737090 1.59737090 1.39531538 1 P P3 1 1.59737090 1.59737090 5.37310618 1 [/CIF]
BrGeP2
P4/mmm
123
tetragonal
4/mmm
5,155.850358
false
[CIF] data_SrBi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38415132 _cell_length_b 4.38415132 _cell_length_c 7.03200657 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrBi3 _chemical_formula_sum 'Sr1 Bi3' _cell_volume 135.16067091 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.19207566 2.19207566 5.21414701 1 Bi Bi1 1 0.00000000 0.00000000 3.51600329 1 Bi Bi2 1 2.19207566 2.19207566 1.81785956 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi3Sr
P4/mmm
123
tetragonal
4/mmm
8,778.861337
false
[CIF] data_GaMo2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18364354 _cell_length_b 5.18364354 _cell_length_c 5.18364354 _cell_angle_alpha 144.30286807 _cell_angle_beta 132.22514854 _cell_angle_gamma 61.04265101 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaMo2Ru _chemical_formula_sum 'Ga1 Mo2 Ru1' _cell_volume 59.56839002 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 0.00000000 2.09906945 2.21850707 1 Mo Mo2 1 1.58879843 0.00000000 2.24689183 1 Ru Ru3 1 -0.00000000 0.00000000 4.46539890 1 [/CIF]
GaMo2Ru
Immm
71
orthorhombic
mmm
10,111.073545
false
[CIF] data_ScCrCdCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65700249 _cell_length_b 4.65700249 _cell_length_c 4.65700249 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCrCdCu _chemical_formula_sum 'Sc1 Cr1 Cd1 Cu1' _cell_volume 71.41746199 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 4.93949706 4.93949706 4.93949706 1 Cr Cr1 1 3.29299804 3.29299804 3.29299804 1 Cu Cu2 1 1.64649902 1.64649902 1.64649902 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdCrCuSc
F-43m
216
cubic
-43m
6,345.451986
false
[CIF] data_Ca2InGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69166573 _cell_length_b 3.69166573 _cell_length_c 8.67117468 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2InGa _chemical_formula_sum 'Ca2 In1 Ga1' _cell_volume 118.17420113 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.24717696 1 Ca Ca1 1 1.84583287 1.84583287 2.67634775 1 Ga Ga2 1 0.00000000 0.00000000 4.62202581 1 In In3 1 1.84583287 1.84583287 6.13238619 1 [/CIF]
Ca2GaIn
P4mm
99
tetragonal
4mm
3,719.42188
false
[CIF] data_CrAu2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83290806 _cell_length_b 4.83290806 _cell_length_c 4.83290806 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrAu2Br _chemical_formula_sum 'Cr1 Au2 Br1' _cell_volume 79.81979376 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.12607309 5.12607309 5.12607309 1 Au Au1 1 1.70869103 1.70869103 1.70869103 1 Br Br2 1 3.41738206 3.41738206 3.41738206 1 Cr Cr3 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
Au2BrCr
Fm-3m
225
cubic
m-3m
10,939.224384
false
[CIF] data_BeSnAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.94635010 _cell_length_b 6.94635010 _cell_length_c 6.94635010 _cell_angle_alpha 131.95382418 _cell_angle_beta 131.95382418 _cell_angle_gamma 70.30196635 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeSnAs2 _chemical_formula_sum 'Be2 Sn2 As4' _cell_volume 181.67837115 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 2.82789200 2.83979900 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 -0.00000000 -0.00000000 5.67959800 1 Sn Sn3 1 2.82789200 0.00000000 2.83979900 1 As As4 1 1.41394600 1.10058729 -1.41989950 1 As As5 1 1.72730471 -1.41394600 7.09949750 1 As As6 1 1.41394600 1.72730471 4.25969850 1 As As7 1 1.10058729 4.24183800 1.41989950 1 [/CIF]
As4Be2Sn2
I-42d
122
tetragonal
-42m
5,073.891377
false
[CIF] data_Mg4SnN4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58912023 _cell_length_b 5.63278409 _cell_length_c 8.43240839 _cell_angle_alpha 70.93886822 _cell_angle_beta 83.01159496 _cell_angle_gamma 68.41675434 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg4SnN4 _chemical_formula_sum 'Mg8 Sn2 N8' _cell_volume 233.32247845 _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 Mg Mg0 1 2.11585424 1.43412623 1.73555068 1 Mg Mg1 1 6.57125887 6.35932687 6.23450225 1 Mg Mg2 1 3.97687227 6.51327131 7.96147787 1 Mg Mg3 1 4.71024084 1.28018179 0.00857506 1 Mg Mg4 1 4.01020591 6.38835230 4.56950480 1 Mg Mg5 1 4.67690720 1.40510080 3.40054813 1 Mg Mg6 1 5.74922328 4.05277700 4.62441113 1 Mg Mg7 1 2.93788983 3.74067610 3.34564180 1 Sn Sn8 1 3.10966746 4.00716929 6.24622254 1 Sn Sn9 1 5.57744565 3.78628381 1.72383039 1 N N10 1 2.09052695 5.20907947 4.79943939 1 N N11 1 6.59658616 2.58437363 3.17061354 1 N N12 1 2.21328211 3.38718813 7.96710983 1 N N13 1 6.47383100 4.40626498 0.00294310 1 N N14 1 4.86666057 5.14673855 6.40805087 1 N N15 1 3.82045254 2.64671455 1.56200206 1 N N16 1 4.93091508 5.24486175 3.06549245 1 N N17 1 3.75619803 2.54859135 4.90456048 1 [/CIF]
Mg8N8Sn2
P-1
2
triclinic
-1
3,870.993432
false
[CIF] data_SrSc2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35883702 _cell_length_b 3.63155876 _cell_length_c 8.93977238 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrSc2Ge _chemical_formula_sum 'Sr1 Sc2 Ge1' _cell_volume 109.04568072 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 0.00000000 1 Sc Sc1 1 1.67941851 1.81577938 1.50742594 1 Sc Sc2 1 1.67941851 1.81577938 7.43234644 1 Sr Sr3 1 0.00000000 0.00000000 4.46988619 1 [/CIF]
GeSc2Sr
Pmmm
47
orthorhombic
mmm
3,809.596899
false
[CIF] data_HfBOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20175562 _cell_length_b 4.20175562 _cell_length_c 4.20175562 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBOs _chemical_formula_sum 'Hf1 B1 Os1' _cell_volume 52.45385003 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 4.45663484 4.45663484 4.45663484 1 Os Os2 1 2.97108989 2.97108989 2.97108989 1 [/CIF]
BHfOs
F-43m
216
cubic
-43m
12,014.867394
false
[CIF] data_CaTiCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60727710 _cell_length_b 4.60727710 _cell_length_c 4.60727710 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTiCu2 _chemical_formula_sum 'Ca1 Ti1 Cu2' _cell_volume 69.15411073 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 1.62891844 1.62891844 1.62891844 1 Cu Cu2 1 4.88675532 4.88675532 4.88675532 1 Ti Ti3 1 3.25783688 3.25783688 3.25783688 1 [/CIF]
CaCu2Ti
Fm-3m
225
cubic
m-3m
5,163.50128
false
[CIF] data_CaAl2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06212718 _cell_length_b 4.06212718 _cell_length_c 4.32869480 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaAl2Ir _chemical_formula_sum 'Ca1 Al2 Ir1' _cell_volume 71.42726145 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.03106359 0.00000000 2.16434740 1 Al Al1 1 0.00000000 2.03106359 2.16434740 1 Ca Ca2 1 0.00000000 0.00000000 0.00000000 1 Ir Ir3 1 2.03106359 2.03106359 0.00000000 1 [/CIF]
Al2CaIr
P4/mmm
123
tetragonal
4/mmm
6,654.920134
false
[CIF] data_NaMgTaCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93381628 _cell_length_b 4.93381628 _cell_length_c 4.93381628 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMgTaCd _chemical_formula_sum 'Na1 Mg1 Ta1 Cd1' _cell_volume 84.92468089 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.74436748 1.74436748 1.74436748 1 Mg Mg1 1 3.48873495 3.48873495 3.48873495 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 5.23310243 5.23310243 5.23310243 1 [/CIF]
CdMgNaTa
F-43m
216
cubic
-43m
6,660.828005
false
[CIF] data_Mn3Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90216463 _cell_length_b 4.90216463 _cell_length_c 4.90216463 _cell_angle_alpha 136.08632808 _cell_angle_beta 136.08632808 _cell_angle_gamma 63.84689888 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3Cl _chemical_formula_sum 'Mn3 Cl1' _cell_volume 55.91594617 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 0.00000000 1 Mn Mn1 1 -0.00000000 1.83295852 2.08036921 1 Mn Mn2 1 1.83295852 -0.00000000 2.08036921 1 Mn Mn3 1 0.00000000 0.00000000 4.16073842 1 [/CIF]
ClMn3
I4/mmm
139
tetragonal
4/mmm
5,947.344616
false
[CIF] data_BeV2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15022411 _cell_length_b 3.15022411 _cell_length_c 5.10613176 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeV2As _chemical_formula_sum 'Be1 V2 As1' _cell_volume 50.67280196 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 2.55306588 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 1.57511206 1.57511206 1.19213466 1 V V3 1 1.57511206 1.57511206 3.91399710 1 [/CIF]
AsBeV2
P4/mmm
123
tetragonal
4/mmm
6,089.633061
false
[CIF] data_MgBSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64022402 _cell_length_b 4.64022402 _cell_length_c 7.29165263 _cell_angle_alpha 116.81430236 _cell_angle_beta 116.81430236 _cell_angle_gamma 43.85268780 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBSb2 _chemical_formula_sum 'Mg1 B1 Sb2' _cell_volume 95.04532396 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 2.53169684 0.00000000 3.18574384 1 Sb Sb2 1 0.15449990 0.00000000 4.88923931 1 Sb Sb3 1 4.90889379 -0.00000000 1.48224837 1 [/CIF]
BMgSb2
C2/m
12
monoclinic
2/m
4,868.05604
false
[CIF] data_Ba2CaSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56786381 _cell_length_b 4.56786381 _cell_length_c 8.39310211 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2CaSb _chemical_formula_sum 'Ba2 Ca1 Sb1' _cell_volume 175.12526311 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.28393191 2.28393191 5.90820966 1 Ba Ba1 1 2.28393191 2.28393191 2.48489245 1 Ca Ca2 1 0.00000000 0.00000000 0.00000000 1 Sb Sb3 1 0.00000000 0.00000000 4.19655105 1 [/CIF]
Ba2CaSb
P4/mmm
123
tetragonal
4/mmm
4,138.820438
false
[CIF] data_KVInPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94318676 _cell_length_b 4.94318676 _cell_length_c 4.94318676 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KVInPt _chemical_formula_sum 'K1 V1 In1 Pt1' _cell_volume 85.40947643 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 3.49536088 3.49536088 3.49536088 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 5.24304132 5.24304132 5.24304132 1 V V3 1 1.74768044 1.74768044 1.74768044 1 [/CIF]
InKPtV
F-43m
216
cubic
-43m
7,775.706058
false
[CIF] data_Cd2CuRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55490876 _cell_length_b 4.55490876 _cell_length_c 4.55490876 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2CuRh _chemical_formula_sum 'Cd2 Cu1 Rh1' _cell_volume 66.82270428 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 4.83121030 4.83121030 4.83121030 1 Cd Cd1 1 1.61040344 1.61040344 1.61040344 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Rh Rh3 1 3.22080687 3.22080687 3.22080687 1 [/CIF]
Cd2CuRh
Fm-3m
225
cubic
m-3m
9,723.116408
false
[CIF] data_CdPt2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61270157 _cell_length_b 4.61270157 _cell_length_c 4.61270157 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdPt2Au _chemical_formula_sum 'Cd1 Pt2 Au1' _cell_volume 69.39865852 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 4.89250884 4.89250884 4.89250884 1 Cd Cd1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 1.63083628 1.63083628 1.63083628 1 Pt Pt3 1 3.26167256 3.26167256 3.26167256 1 [/CIF]
AuCdPt2
F-43m
216
cubic
-43m
16,738.403464
false
[CIF] data_BaY2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77263256 _cell_length_b 5.77263256 _cell_length_c 5.77263256 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaY2Cl _chemical_formula_sum 'Ba1 Y2 Cl1' _cell_volume 136.02124530 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.08186763 4.08186763 4.08186763 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 2.04093382 2.04093382 2.04093382 1 Y Y3 1 6.12280144 6.12280145 6.12280145 1 [/CIF]
BaClY2
Fm-3m
225
cubic
m-3m
4,280.002091
false
[CIF] data_Zn2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75112791 _cell_length_b 4.75112791 _cell_length_c 5.04175224 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 63.83104993 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2Ge _chemical_formula_sum 'Zn4 Ge2' _cell_volume 102.14290188 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 4.03289263 -1.40893497 1.26043806 1 Ge Ge1 1 4.03289263 1.40893497 3.78131418 1 Zn Zn2 1 2.71117579 1.08687630 1.26043806 1 Zn Zn3 1 5.35460947 -1.08687630 3.78131418 1 Zn Zn4 1 5.35460947 1.08687630 1.26043806 1 Zn Zn5 1 2.71117579 -1.08687630 3.78131418 1 [/CIF]
Ge2Zn4
Cmcm
63
orthorhombic
mmm
6,613.35521
false
[CIF] data_ZnFeBiAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75813956 _cell_length_b 4.75813956 _cell_length_c 4.75813956 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnFeBiAu _chemical_formula_sum 'Zn1 Fe1 Bi1 Au1' _cell_volume 76.17220559 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.36451275 3.36451275 3.36451275 1 Bi Bi1 1 1.68225637 1.68225637 1.68225638 1 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 5.04676912 5.04676912 5.04676913 1 [/CIF]
AuBiFeZn
F-43m
216
cubic
-43m
11,492.245006
false
[CIF] data_NiHg2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11420733 _cell_length_b 3.11420733 _cell_length_c 8.99058146 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiHg2Cl _chemical_formula_sum 'Ni1 Hg2 Cl1' _cell_volume 87.19324194 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.93104658 1 Hg Hg1 1 1.55710367 1.55710367 0.00991733 1 Hg Hg2 1 0.00000000 0.00000000 2.88459147 1 Ni Ni3 1 1.55710367 1.55710367 4.66031690 1 [/CIF]
ClHg2Ni
P4mm
99
tetragonal
4mm
9,433.171879
false
[CIF] data_CaYCoSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90682542 _cell_length_b 4.90682542 _cell_length_c 4.90682542 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaYCoSn _chemical_formula_sum 'Ca1 Y1 Co1 Sn1' _cell_volume 83.53852871 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Co Co1 1 3.46964953 3.46964953 3.46964953 1 Sn Sn2 1 1.73482476 1.73482476 1.73482477 1 Y Y3 1 5.20447430 5.20447430 5.20447430 1 [/CIF]
CaCoSnY
F-43m
216
cubic
-43m
6,094.986289
false
[CIF] data_Fe2GeMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15966476 _cell_length_b 4.15966476 _cell_length_c 4.15966476 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2GeMo _chemical_formula_sum 'Fe2 Ge1 Mo1' _cell_volume 50.89322772 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.47066358 1.47066358 1.47066358 1 Fe Fe1 1 4.41199074 4.41199074 4.41199074 1 Ge Ge2 1 0.00000000 0.00000000 0.00000000 1 Mo Mo3 1 2.94132716 2.94132716 2.94132716 1 [/CIF]
Fe2GeMo
Fm-3m
225
cubic
m-3m
9,145.273661
false
[CIF] data_K2CaSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.02955387 _cell_length_b 6.02955387 _cell_length_c 6.02955387 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2CaSb _chemical_formula_sum 'K2 Ca1 Sb1' _cell_volume 155.00315619 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 6.39530764 6.39530764 6.39530764 1 K K2 1 2.13176922 2.13176922 2.13176921 1 Sb Sb3 1 4.26353843 4.26353843 4.26353843 1 [/CIF]
CaK2Sb
Fm-3m
225
cubic
m-3m
2,571.475578
false
[CIF] data_La2VRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21582462 _cell_length_b 3.21582462 _cell_length_c 9.02445845 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2VRu _chemical_formula_sum 'La2 V1 Ru1' _cell_volume 93.32668962 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.60791231 1.60791231 8.47896459 1 La La1 1 0.00000000 0.00000000 2.84817017 1 Ru Ru2 1 1.60791231 1.60791231 5.02293181 1 V V3 1 0.00000000 0.00000000 6.21107956 1 [/CIF]
La2RuV
P4mm
99
tetragonal
4mm
7,647.726028
false
[CIF] data_SrNiHgPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19086904 _cell_length_b 5.19086904 _cell_length_c 5.19086904 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrNiHgPb _chemical_formula_sum 'Sr1 Ni1 Hg1 Pb1' _cell_volume 98.90203312 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.83524935 1.83524935 1.83524935 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 3.67049870 3.67049870 3.67049870 1 Sr Sr3 1 5.50574805 5.50574805 5.50574805 1 [/CIF]
HgNiPbSr
F-43m
216
cubic
-43m
9,303.250031
false
[CIF] data_LiCdBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22773335 _cell_length_b 5.22773335 _cell_length_c 5.22773335 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCdBr2 _chemical_formula_sum 'Li1 Cd1 Br2' _cell_volume 101.02416835 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 1.84828285 1.84828285 1.84828285 1 Br Br1 1 5.54484855 5.54484855 5.54484855 1 Cd Cd2 1 3.69656570 3.69656570 3.69656570 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br2CdLi
Fm-3m
225
cubic
m-3m
4,588.566215
false
[CIF] data_ScAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.37729268 _cell_length_b 3.37729268 _cell_length_c 3.37729268 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScAu _chemical_formula_sum 'Sc1 Au1' _cell_volume 38.52175778 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68864634 1.68864634 1.68864634 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuSc
Pm-3m
221
cubic
m-3m
10,428.437172
false
[CIF] data_NaCaInAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15252715 _cell_length_b 5.15252715 _cell_length_c 5.15252715 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCaInAg _chemical_formula_sum 'Na1 Ca1 In1 Ag1' _cell_volume 96.72658823 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 3.64338689 3.64338689 3.64338689 1 Ca Ca1 1 1.82169345 1.82169345 1.82169345 1 In In2 1 5.46508034 5.46508034 5.46508034 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgCaInNa
F-43m
216
cubic
-43m
4,905.638027
false
[CIF] data_ZrCu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61839862 _cell_length_b 4.61839862 _cell_length_c 4.61839862 _cell_angle_alpha 101.15281157 _cell_angle_beta 101.15281157 _cell_angle_gamma 127.81741887 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCu4 _chemical_formula_sum 'Zr1 Cu4' _cell_volume 69.88856192 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.14658142 3.37584406 -0.00000000 1 Cu Cu1 1 1.78632647 -0.44293617 2.03118399 1 Cu Cu2 1 2.48997173 1.14658142 -0.00000000 1 Cu Cu3 1 0.44293617 1.78632647 2.03118398 1 Zr Zr4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cu4Zr
I4/m
87
tetragonal
4/m
8,206.829016
false
[CIF] data_NaSiP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.79458740 _cell_length_b 5.79458740 _cell_length_c 5.79458740 _cell_angle_alpha 147.37740966 _cell_angle_beta 147.37740966 _cell_angle_gamma 46.80528877 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSiP _chemical_formula_sum 'Na1 Si1 P1' _cell_volume 56.33945079 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 0.01083980 1 P P1 1 0.00000000 -0.00000000 7.55623276 1 Si Si2 1 0.00000000 0.00000000 3.06873378 1 [/CIF]
NaPSi
I4mm
107
tetragonal
4mm
2,418.298722
false
[CIF] data_KMg2V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08152738 _cell_length_b 5.08152738 _cell_length_c 7.67786255 _cell_angle_alpha 92.75429003 _cell_angle_beta 92.75429003 _cell_angle_gamma 32.25263492 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMg2V _chemical_formula_sum 'K1 Mg2 V1' _cell_volume 105.66816176 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 2.06158068 0.00000000 5.14171257 1 Mg Mg2 1 7.31751926 -0.00000000 2.52653851 1 V V3 1 4.68954997 0.00000000 3.83412554 1 [/CIF]
KMg2V
C2/m
12
monoclinic
2/m
2,178.834245
false
[CIF] data_MnCu2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.44968180 _cell_length_b 8.44968180 _cell_length_c 8.44968180 _cell_angle_alpha 20.75253815 _cell_angle_beta 20.75253815 _cell_angle_gamma 20.75253815 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCu2Sn _chemical_formula_sum 'Mn1 Cu2 Sn1' _cell_volume 66.31231518 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 18.43278265 1 Cu Cu1 1 0.00000000 0.00000000 6.36198339 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 0.00000000 -0.00000000 12.39738302 1 [/CIF]
Cu2MnSn
R-3m
166
trigonal
-3m
7,530.887616
false
[CIF] data_PuCrIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50087951 _cell_length_b 4.50087951 _cell_length_c 4.50087951 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PuCrIr2 _chemical_formula_sum 'Pu1 Cr1 Ir2' _cell_volume 64.47289371 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 4.77390363 4.77390363 4.77390363 1 Ir Ir2 1 1.59130121 1.59130121 1.59130121 1 Pu Pu3 1 3.18260242 3.18260242 3.18260242 1 [/CIF]
CrIr2Pu
Fm-3m
225
cubic
m-3m
17,524.896094
false
[CIF] data_InRu3C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10427437 _cell_length_b 4.10427437 _cell_length_c 4.10427437 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InRu3C _chemical_formula_sum 'In1 Ru3 C1' _cell_volume 69.13678128 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 2.05213719 0.00000000 1 Ru Ru1 1 0.00000000 0.00000000 2.05213719 1 Ru Ru2 1 2.05213719 0.00000000 0.00000000 1 C C3 1 0.00000000 0.00000000 0.00000000 1 In In4 1 2.05213719 2.05213719 2.05213719 1 [/CIF]
CInRu3
Pm-3m
221
cubic
m-3m
10,328.743229
false
[CIF] data_Zn2GeB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36924127 _cell_length_b 4.36924127 _cell_length_c 4.36924127 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2GeB _chemical_formula_sum 'Zn2 Ge1 B1' _cell_volume 58.97977119 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 Ge Ge1 1 3.08952013 3.08952013 3.08952013 1 Zn Zn2 1 4.63428020 4.63428020 4.63428019 1 Zn Zn3 1 1.54476007 1.54476007 1.54476006 1 [/CIF]
BGeZn2
Fm-3m
225
cubic
m-3m
6,030.978534
false
[CIF] data_MgMoOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40610846 _cell_length_b 4.40610846 _cell_length_c 4.40610846 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgMoOs2 _chemical_formula_sum 'Mg1 Mo1 Os2' _cell_volume 60.48539933 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.55779459 1.55779459 1.55779458 1 Os Os2 1 3.11558917 3.11558917 3.11558917 1 Os Os3 1 4.67338376 4.67338376 4.67338376 1 [/CIF]
MgMoOs2
F-43m
216
cubic
-43m
13,746.679914
false
[CIF] data_Hf2CuW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66483105 _cell_length_b 4.66483105 _cell_length_c 4.66483105 _cell_angle_alpha 122.81482113 _cell_angle_beta 120.07852822 _cell_angle_gamma 87.52909213 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2CuW _chemical_formula_sum 'Hf2 Cu1 W1' _cell_volume 70.08504464 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 0.00000000 2.32964651 1.68958411 1 Hf Hf2 1 2.23248690 -0.00000000 1.67930267 1 W W3 1 0.00000000 0.00000000 3.36888678 1 [/CIF]
CuHf2W
Immm
71
orthorhombic
mmm
14,319.365261
false
[CIF] data_Ce3Pt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.80316937 _cell_length_b 7.80316937 _cell_length_c 7.80316937 _cell_angle_alpha 71.43848449 _cell_angle_beta 71.43848449 _cell_angle_gamma 71.43848449 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce3Pt2 _chemical_formula_sum 'Ce9 Pt6' _cell_volume 414.35182180 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ce Ce0 1 0.00000000 0.00000000 0.00000000 1 Ce Ce1 1 1.05354546 2.01975081 10.23748393 1 Ce Ce2 1 0.00000000 -0.00000000 13.81380435 1 Ce Ce3 1 2.27592824 0.09747828 7.05307140 1 Ce Ce4 1 1.22238278 -1.92227254 10.23748393 1 Ce Ce5 1 -1.22238278 1.92227254 7.05307140 1 Ce Ce6 1 -2.27592824 -0.09747828 10.23748393 1 Ce Ce7 1 -0.00000000 0.00000000 3.47675098 1 Ce Ce8 1 -1.05354546 -2.01975081 7.05307140 1 Pt Pt9 1 3.62079417 -0.14478071 9.85490607 1 Pt Pt10 1 1.93578086 3.06330938 7.43564926 1 Pt Pt11 1 -1.68501332 3.20809009 9.85490607 1 Pt Pt12 1 1.68501332 -3.20809009 7.43564926 1 Pt Pt13 1 -1.93578086 -3.06330938 9.85490607 1 Pt Pt14 1 -3.62079417 0.14478071 7.43564926 1 [/CIF]
Ce9Pt6
R-3
148
trigonal
-3
9,744.570321
false
[CIF] data_ZrGe2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55258435 _cell_length_b 3.55258435 _cell_length_c 5.13719147 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrGe2B _chemical_formula_sum 'Zr1 Ge2 B1' _cell_volume 64.83575155 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 Ge Ge1 1 1.77629218 1.77629218 1.22020082 1 Ge Ge2 1 1.77629218 1.77629218 3.91699065 1 Zr Zr3 1 0.00000000 0.00000000 2.56859574 1 [/CIF]
BGe2Zr
P4/mmm
123
tetragonal
4/mmm
6,334.516051
false
[CIF] data_AlReHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05777584 _cell_length_b 4.05777584 _cell_length_c 4.31005977 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlReHg2 _chemical_formula_sum 'Al1 Re1 Hg2' _cell_volume 70.96748209 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 0.00000000 2.02888792 2.15502988 1 Hg Hg2 1 2.02888792 0.00000000 2.15502988 1 Re Re3 1 2.02888792 2.02888792 0.00000000 1 [/CIF]
AlHg2Re
P4/mmm
123
tetragonal
4/mmm
14,375.357974
false
[CIF] data_KTiSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46379312 _cell_length_b 4.46379312 _cell_length_c 5.09964800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTiSe _chemical_formula_sum 'K1 Ti1 Se1' _cell_volume 87.99924560 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.02775483 1 Se Se1 1 2.23189656 1.28858608 2.51858509 1 Ti Ti2 1 0.00000000 2.57717216 2.55330808 1 [/CIF]
KSeTi
P3m1
156
trigonal
3m
3,130.997782
false
[CIF] data_SiIrRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82768199 _cell_length_b 2.82768199 _cell_length_c 6.89970346 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiIrRh2 _chemical_formula_sum 'Si1 Ir1 Rh2' _cell_volume 55.16854844 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 1.41384099 1.41384099 4.92273495 1 Rh Rh1 1 0.00000000 0.00000000 6.89253412 1 Rh Rh2 1 1.41384099 1.41384099 1.99986532 1 Si Si3 1 0.00000000 0.00000000 3.43412427 1 [/CIF]
IrRh2Si
P4mm
99
tetragonal
4mm
12,825.751874
false
[CIF] data_CrFe2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24659341 _cell_length_b 4.24659341 _cell_length_c 4.24659341 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrFe2Sn _chemical_formula_sum 'Cr1 Fe2 Sn1' _cell_volume 54.15107066 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 1.50139750 1.50139750 1.50139750 1 Fe Fe2 1 4.50419250 4.50419250 4.50419250 1 Sn Sn3 1 3.00279500 3.00279500 3.00279500 1 [/CIF]
CrFe2Sn
Fm-3m
225
cubic
m-3m
8,659.658075
false
[CIF] data_LiAl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.89616112 _cell_length_b 12.89616112 _cell_length_c 12.89616112 _cell_angle_alpha 167.39707408 _cell_angle_beta 167.39707408 _cell_angle_gamma 17.85953403 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAl2 _chemical_formula_sum 'Li2 Al4' _cell_volume 102.10123556 _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 1.41547865 -0.00000000 8.38709308 1 Al Al1 1 0.00000000 0.00000000 10.72268391 1 Al Al2 1 1.41547865 -0.00000000 4.35275825 1 Al Al3 1 0.00000000 -0.00000000 14.75701875 1 Li Li4 1 0.00000000 1.41547865 6.36992567 1 Li Li5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al4Li2
I4_1/amd
141
tetragonal
4/mmm
1,981.045556
false
[CIF] data_LiAgSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56899378 _cell_length_b 3.56899378 _cell_length_c 7.04044098 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAgSb2 _chemical_formula_sum 'Li1 Ag1 Sb2' _cell_volume 89.67914195 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.52022049 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 1.78449689 1.78449689 1.69528454 1 Sb Sb3 1 1.78449689 1.78449689 5.34515644 1 [/CIF]
AgLiSb2
P4/mmm
123
tetragonal
4/mmm
6,634.983591
false
[CIF] data_Li2Hf _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.98047556 _cell_length_b 2.98047556 _cell_length_c 7.92908356 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Hf _chemical_formula_sum 'Li2 Hf1' _cell_volume 60.99928664 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.00000000 0.00000000 0.00000000 1 Li Li1 1 1.49023778 0.86038918 5.28846839 1 Li Li2 1 -0.00000000 1.72077837 2.64061517 1 [/CIF]
HfLi2
P-3m1
164
trigonal
-3m
5,236.802574
false
[CIF] data_MnCu2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66244834 _cell_length_b 3.66244834 _cell_length_c 4.01680399 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCu2As _chemical_formula_sum 'Mn1 Cu2 As1' _cell_volume 53.87951201 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.83122417 1.83122417 0.00000000 1 Cu Cu1 1 1.83122417 0.00000000 2.00840199 1 Cu Cu2 1 0.00000000 1.83122417 2.00840199 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsCu2Mn
P4/mmm
123
tetragonal
4/mmm
7,920.144814
false
[CIF] data_CaHf4Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.85834402 _cell_length_b 5.85834402 _cell_length_c 5.85834402 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHf4Au _chemical_formula_sum 'Ca1 Hf4 Au1' _cell_volume 142.17054060 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.21371217 6.21371217 6.21371217 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Hf Hf2 1 5.18024646 5.18024646 3.10470310 1 Hf Hf3 1 5.18024646 3.10470310 5.18024646 1 Hf Hf4 1 3.10470310 5.18024646 5.18024646 1 Hf Hf5 1 3.10470310 3.10470310 3.10470310 1 [/CIF]
AuCaHf4
F-43m
216
cubic
-43m
11,107.647426
false
[CIF] data_Y2TiHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23411750 _cell_length_b 5.23411750 _cell_length_c 5.23411750 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2TiHg _chemical_formula_sum 'Y2 Ti1 Hg1' _cell_volume 101.39473545 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 3.70107998 3.70107998 3.70107998 1 Ti Ti1 1 0.00000000 -0.00000000 0.00000000 1 Y Y2 1 5.55161997 5.55161997 5.55161997 1 Y Y3 1 1.85053999 1.85053999 1.85053999 1 [/CIF]
HgTiY2
Fm-3m
225
cubic
m-3m
6,980.991923
false
[CIF] data_SrLiSnRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96453183 _cell_length_b 4.96453183 _cell_length_c 4.96453183 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLiSnRh _chemical_formula_sum 'Sr1 Li1 Sn1 Rh1' _cell_volume 86.52067517 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 5.26568118 5.26568118 5.26568118 1 Sn Sn2 1 3.51045412 3.51045412 3.51045412 1 Sr Sr3 1 1.75522706 1.75522706 1.75522706 1 [/CIF]
LiRhSnSr
F-43m
216
cubic
-43m
6,068.184618
false
[CIF] data_HfTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22666741 _cell_length_b 10.64875280 _cell_length_c 5.37452101 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTl _chemical_formula_sum 'Hf4 Tl4' _cell_volume 184.66845385 _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 Hf Hf0 1 0.00000000 2.69214751 5.27385311 1 Hf Hf1 1 0.00000000 7.95660529 5.27385311 1 Hf Hf2 1 1.61333370 5.32437640 4.60863150 1 Hf Hf3 1 0.00000000 0.00000000 1.79453660 1 Tl Tl4 1 1.61333370 2.58294157 2.63224229 1 Tl Tl5 1 1.61333370 8.06581123 2.63224229 1 Tl Tl6 1 1.61333370 0.00000000 4.55356900 1 Tl Tl7 1 0.00000000 5.32437640 1.89518418 1 [/CIF]
Hf4Tl4
Pmm2
25
orthorhombic
mm2
13,771.189588
false
[CIF] data_CoAuSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86501500 _cell_length_b 2.86501500 _cell_length_c 9.33121295 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoAuSe2 _chemical_formula_sum 'Co1 Au1 Se2' _cell_volume 76.59349722 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.43250750 1.43250750 5.14555965 1 Co Co1 1 0.00000000 0.00000000 7.14638987 1 Se Se2 1 1.43250750 1.43250750 8.37137415 1 Se Se3 1 0.00000000 0.00000000 2.66470870 1 [/CIF]
AuCoSe2
P4mm
99
tetragonal
4mm
8,971.682918
false
[CIF] data_VB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32204044 _cell_length_b 3.32204044 _cell_length_c 3.32204044 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VB _chemical_formula_sum 'V1 B1' _cell_volume 25.92386466 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 V V1 1 3.52355598 3.52355598 3.52355598 1 [/CIF]
BV
F-43m
216
cubic
-43m
3,955.522837
false
[CIF] data_AgPtBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.70012119 _cell_length_b 3.70012119 _cell_length_c 7.39304178 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgPtBr2 _chemical_formula_sum 'Ag1 Pt1 Br2' _cell_volume 101.21737220 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.14524073 1 Br Br1 1 1.85006059 1.85006059 6.67364411 1 Br Br2 1 0.00000000 0.00000000 2.47057528 1 Pt Pt3 1 1.85006059 1.85006059 4.19314433 1 [/CIF]
AgBr2Pt
P4mm
99
tetragonal
4mm
7,591.892319
false
[CIF] data_Sn2BRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.33791859 _cell_length_b 3.28034702 _cell_length_c 6.31634939 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.14519289 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn2BRu _chemical_formula_sum 'Sn2 B1 Ru1' _cell_volume 67.34883028 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 -0.71823043 0.00000000 3.07542070 1 Sn Sn2 1 0.88620608 1.64017351 4.68334647 1 Sn Sn3 1 1.01525164 1.64017351 1.46749493 1 [/CIF]
BRuSn2
P2/m
10
monoclinic
2/m
8,612.29444
false
[CIF] data_YAsPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07472364 _cell_length_b 5.07472364 _cell_length_c 5.07472364 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YAsPb _chemical_formula_sum 'Y1 As1 Pb1' _cell_volume 92.41068549 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 1.79418575 1.79418575 1.79418575 1 Y Y2 1 3.58837150 3.58837150 3.58837150 1 [/CIF]
AsPbY
F-43m
216
cubic
-43m
6,667.038257
false
[CIF] data_BeTe2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75971099 _cell_length_b 4.75971099 _cell_length_c 3.35737710 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 95.90648213 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeTe2W _chemical_formula_sum 'Be1 Te2 W1' _cell_volume 75.65707677 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Te Te1 1 1.59387695 1.76727713 1.67868855 1 Te Te2 1 1.59387695 -1.76727712 1.67868855 1 W W3 1 3.18775390 -0.00000000 0.00000000 1 [/CIF]
BeTe2W
Cmmm
65
orthorhombic
mmm
9,833.953198
false
[CIF] data_NaHfCuHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67269711 _cell_length_b 4.67269711 _cell_length_c 4.67269711 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaHfCuHg _chemical_formula_sum 'Na1 Hf1 Cu1 Hg1' _cell_volume 72.14195252 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 3.30409581 3.30409581 3.30409581 1 Hf Hf1 1 1.65204790 1.65204790 1.65204790 1 Hg Hg2 1 4.95614372 4.95614372 4.95614372 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CuHfHgNa
F-43m
216
cubic
-43m
10,717.386318
false
[CIF] data_MgBe4Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41934256 _cell_length_b 4.41934256 _cell_length_c 4.41934256 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBe4Ir _chemical_formula_sum 'Mg1 Be4 Ir1' _cell_volume 61.03205611 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 2.35313485 3.89675933 3.89675933 1 Be Be1 1 3.89675933 3.89675933 2.35313485 1 Be Be2 1 3.89675933 2.35313485 3.89675933 1 Be Be3 1 2.35313485 2.35313485 2.35313485 1 Ir Ir4 1 4.68742064 4.68742064 4.68742063 1 Mg Mg5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be4IrMg
F-43m
216
cubic
-43m
6,871.856983
false
[CIF] data_Ti2CrIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76904080 _cell_length_b 4.14672139 _cell_length_c 5.09652715 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.12430436 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2CrIr _chemical_formula_sum 'Ti2 Cr1 Ir1' _cell_volume 57.78008839 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 0.98042465 0.00000000 2.51601945 1 Ti Ti2 1 0.02056592 2.07336069 3.81193240 1 Ti Ti3 1 1.94028338 2.07336069 1.22010650 1 [/CIF]
CrIrTi2
P2/m
10
monoclinic
2/m
9,769.722682
false
[CIF] data_Cs2Th(Si2O5)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.17101728 _cell_length_b 9.17101728 _cell_length_c 13.80555500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 132.19809338 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs2Th(Si2O5)3 _chemical_formula_sum 'Cs4 Th2 Si12 O30' _cell_volume 860.21233545 _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 Cs Cs0 1 3.71570000 1.89872100 6.43037902 1 Cs Cs1 1 3.71570000 -1.89872100 13.33315652 1 Cs Cs2 1 3.71570000 3.74755377 2.15587547 1 Cs Cs3 1 3.71570000 -3.74755377 9.05865297 1 Th Th4 1 3.71570000 -6.19071889 4.25331202 1 Th Th5 1 3.71570000 6.19071889 11.15608952 1 Si Si6 1 3.71570000 -6.01678922 0.52300965 1 Si Si7 1 3.71570000 6.01678922 7.42578715 1 Si Si8 1 5.24175285 -3.07571438 5.27441229 1 Si Si9 1 2.18964715 -3.07571438 5.27441229 1 Si Si10 1 2.18964715 3.07571438 12.17718979 1 Si Si11 1 5.24175285 3.07571438 12.17718979 1 Si Si12 1 3.71570000 -7.59547092 7.77175435 1 Si Si13 1 3.71570000 7.59547092 0.86897685 1 Si Si14 1 2.11835401 -0.72257446 3.20403462 1 Si Si15 1 5.31304599 -0.72257446 3.20403462 1 Si Si16 1 5.31304599 0.72257446 10.10681212 1 Si Si17 1 2.11835401 0.72257446 10.10681212 1 O O18 1 5.33634343 -4.56502487 4.66949428 1 O O19 1 2.09505657 -4.56502487 4.66949428 1 O O20 1 2.09505657 4.56502487 11.57227178 1 O O21 1 5.33634343 4.56502487 11.57227178 1 O O22 1 1.73500896 0.71248782 3.81763632 1 O O23 1 5.69639104 0.71248782 3.81763632 1 O O24 1 5.69639104 -0.71248782 10.72041382 1 O O25 1 1.73500896 -0.71248782 10.72041382 1 O O26 1 3.71570000 -6.57431329 6.53564638 1 O O27 1 3.71570000 6.57431329 13.43842388 1 O O28 1 3.71570000 -5.54621322 2.05636503 1 O O29 1 3.71570000 5.54621322 8.95914253 1 O O30 1 5.74977822 -1.95635658 4.19438991 1 O O31 1 1.68162178 -1.95635658 4.19438991 1 O O32 1 1.68162178 1.95635658 11.09716741 1 O O33 1 5.74977822 1.95635658 11.09716741 1 O O34 1 3.71570000 -2.67919097 5.75487321 1 O O35 1 3.71570000 2.67919097 12.65765071 1 O O36 1 6.10749609 -2.96607765 6.66314068 1 O O37 1 1.32390391 -2.96607765 6.66314068 1 O O38 1 1.32390391 2.96607765 13.56591818 1 O O39 1 6.10749609 2.96607765 13.56591818 1 O O40 1 1.35673212 1.03656010 8.67662565 1 O O41 1 6.07466788 1.03656010 8.67662565 1 O O42 1 6.07466788 -1.03656010 1.77384815 1 O O43 1 1.35673212 -1.03656010 1.77384815 1 O O44 1 3.71570000 7.63461013 7.24784735 1 O O45 1 3.71570000 -7.63461013 0.34506985 1 O O46 1 3.71570000 -0.87310277 2.82791608 1 O O47 1 3.71570000 0.87310277 9.73069358 1 [/CIF]
Cs4O30Si12Th2
Cmc2_1
36
orthorhombic
mm2
3,499.216281
true
[CIF] data_MgTaTlCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63639372 _cell_length_b 4.63639372 _cell_length_c 4.63639372 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTaTlCo _chemical_formula_sum 'Mg1 Ta1 Tl1 Co1' _cell_volume 70.47351431 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.91763816 4.91763816 4.91763816 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 1.63921272 1.63921272 1.63921272 1 Tl Tl3 1 3.27842544 3.27842544 3.27842544 1 [/CIF]
CoMgTaTl
F-43m
216
cubic
-43m
11,040.711681
false
[CIF] data_K2UF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.38646864 _cell_length_b 6.38646864 _cell_length_c 3.63480736 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2UF6 _chemical_formula_sum 'K2 U1 F6' _cell_volume 128.39070939 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy F F0 1 4.12194233 0.00000000 0.00000000 1 F F1 1 1.13226316 1.96113731 0.00000000 1 F F2 1 -2.06097116 3.56970677 0.00000000 1 F F3 1 1.49058556 0.00000000 1.81740368 1 F F4 1 -0.74529278 1.29088496 1.81740368 1 F F5 1 2.44794154 4.23995912 1.81740368 1 K K6 1 3.19323432 1.84361469 1.81740368 1 K K7 1 0.00000000 3.68722939 1.81740368 1 U U8 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
F6K2U
P-62m
189
hexagonal
-6m2
5,565.847637
false
[CIF] data_CdSiB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06460917 _cell_length_b 3.06460917 _cell_length_c 6.62620834 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdSiB2 _chemical_formula_sum 'Cd1 Si1 B2' _cell_volume 62.23221807 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53230459 1.53230459 0.99686553 1 B B1 1 1.53230459 1.53230459 5.62934281 1 Cd Cd2 1 0.00000000 0.00000000 3.31310417 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2CdSi
P4/mmm
123
tetragonal
4/mmm
4,325.799578
false
[CIF] data_SrAgPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08888216 _cell_length_b 5.08888216 _cell_length_c 3.22050305 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.09248511 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrAgPt2 _chemical_formula_sum 'Sr1 Ag1 Pt2' _cell_volume 79.71680356 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 3.02368052 -0.00000000 0.00000000 1 Pt Pt1 1 1.51184026 -2.04658727 1.61025153 1 Pt Pt2 1 1.51184026 2.04658727 1.61025153 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgPt2Sr
Cmmm
65
orthorhombic
mmm
12,200.336287
false
[CIF] data_MgAgPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12443082 _cell_length_b 3.12443082 _cell_length_c 6.67154015 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgAgPd2 _chemical_formula_sum 'Mg1 Ag1 Pd2' _cell_volume 65.12802841 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.33577008 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 1.56221541 1.56221541 1.55793625 1 Pd Pd3 1 1.56221541 1.56221541 5.11360390 1 [/CIF]
AgMgPd2
P4/mmm
123
tetragonal
4/mmm
8,796.810688
false
[CIF] data_ScCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23104025 _cell_length_b 4.23104025 _cell_length_c 4.23104025 _cell_angle_alpha 42.73538111 _cell_angle_beta 42.73538111 _cell_angle_gamma 42.73538111 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCo _chemical_formula_sum 'Sc1 Co1' _cell_volume 31.59896426 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 5.75754809 1 Sc Sc1 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
CoSc
R-3m
166
trigonal
-3m
5,459.416891
false
[CIF] data_YMg5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.74653279 _cell_length_b 5.74653279 _cell_length_c 5.15304186 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMg5 _chemical_formula_sum 'Y1 Mg5' _cell_volume 147.36898109 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.62773955 0.00000000 2.57652093 1 Mg Mg1 1 1.05939662 1.83492878 2.57652093 1 Mg Mg2 1 -1.81386977 3.14171461 2.57652093 1 Mg Mg3 1 2.87326640 1.65888113 0.00000000 1 Mg Mg4 1 0.00000000 3.31776225 0.00000000 1 Y Y5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mg5Y
P-62m
189
hexagonal
-6m2
2,371.113951
false
[CIF] data_Ag2GeTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83849969 _cell_length_b 3.83849969 _cell_length_c 5.94161772 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag2GeTe _chemical_formula_sum 'Ag2 Ge1 Te1' _cell_volume 87.54427004 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.91924984 1.91924984 4.53808997 1 Ag Ag1 1 1.91924984 1.91924984 1.40352775 1 Ge Ge2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 0.00000000 0.00000000 2.97080886 1 [/CIF]
Ag2GeTe
P4/mmm
123
tetragonal
4/mmm
7,890.237278
false
[CIF] data_Sr2ReHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60515704 _cell_length_b 5.60515704 _cell_length_c 3.53591358 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2ReHg _chemical_formula_sum 'Sr2 Re1 Hg1' _cell_volume 111.09057420 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.80257852 2.80257852 0.00000000 1 Re Re1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 0.00000000 2.80257852 1.76795679 1 Sr Sr3 1 2.80257852 0.00000000 1.76795679 1 [/CIF]
HgReSr2
P4/mmm
123
tetragonal
4/mmm
8,401.112354
false
[CIF] data_BeV2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79589425 _cell_length_b 4.79589425 _cell_length_c 4.79589425 _cell_angle_alpha 141.21505779 _cell_angle_beta 129.75545397 _cell_angle_gamma 65.22759672 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeV2Mo _chemical_formula_sum 'Be1 V2 Mo1' _cell_volume 52.39191491 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.02738427 1 Mo Mo1 1 0.00000000 2.03610371 2.05507129 1 V V2 1 -0.00000000 0.00000000 0.02448763 1 V V3 1 1.59241523 0.00000000 1.97243716 1 [/CIF]
BeMoV2
Imm2
44
orthorhombic
mm2
6,556.185462
false
[CIF] data_HfTaTcAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63078344 _cell_length_b 4.63078344 _cell_length_c 4.63078344 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTaTcAu _chemical_formula_sum 'Hf1 Ta1 Tc1 Au1' _cell_volume 70.21799359 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63722919 1.63722919 1.63722919 1 Hf Hf1 1 4.91168756 4.91168756 4.91168756 1 Ta Ta2 1 3.27445837 3.27445837 3.27445837 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuHfTaTc
F-43m
216
cubic
-43m
15,497.00978
false
[CIF] data_ScMnPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32197594 _cell_length_b 3.32197594 _cell_length_c 6.01423573 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScMnPd2 _chemical_formula_sum 'Sc1 Mn1 Pd2' _cell_volume 66.37024362 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 0.00000000 0.00000000 3.00711787 1 Pd Pd1 1 1.66098797 1.66098797 4.46112016 1 Pd Pd2 1 1.66098797 1.66098797 1.55311557 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MnPd2Sc
P4/mmm
123
tetragonal
4/mmm
7,824.394258
false
[CIF] data_Zn2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07047519 _cell_length_b 5.07047519 _cell_length_c 5.07047519 _cell_angle_alpha 107.59252998 _cell_angle_beta 107.59252998 _cell_angle_gamma 113.29770857 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2Pd _chemical_formula_sum 'Zn4 Pd2' _cell_volume 100.01348527 _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 Pd Pd0 1 -0.00000000 0.00000000 1.39379426 1 Pd Pd1 1 -0.00000000 0.00000000 4.18138277 1 Zn Zn2 1 1.93476759 1.06015052 -0.00000000 1 Zn Zn3 1 1.93476759 -1.06015052 2.78758851 1 Zn Zn4 1 1.06015052 4.05506863 -0.00000000 1 Zn Zn5 1 1.06015052 1.93476759 2.78758851 1 [/CIF]
Pd2Zn4
I4/mcm
140
tetragonal
4/mmm
7,875.871034
false
[CIF] data_Sc2TlFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.90375791 _cell_length_b 8.90375791 _cell_length_c 8.90375791 _cell_angle_alpha 21.26951089 _cell_angle_beta 21.26951089 _cell_angle_gamma 21.26951089 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2TlFe _chemical_formula_sum 'Sc2 Tl1 Fe1' _cell_volume 81.36462494 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sc Sc1 1 -0.00000000 0.00000000 6.94864485 1 Sc Sc2 1 -0.00000000 -0.00000000 19.14909793 1 Tl Tl3 1 -0.00000000 0.00000000 13.04887139 1 [/CIF]
FeSc2Tl
R-3m
166
trigonal
-3m
7,145.873968
false