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_GaFe2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.60987564 _cell_length_b 4.14790446 _cell_length_c 4.93969090 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.32958475 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaFe2Re _chemical_formula_sum 'Ga1 Fe2 Re1' _cell_volume 52.60801017 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.49874008 0.00000000 0.01247390 1 Fe Fe1 1 1.80046122 2.07395223 1.22085411 1 Ga Ga2 1 0.96039199 0.00000000 2.35043764 1 Re Re3 1 -0.06350984 2.07395223 3.70568130 1 [/CIF]
Fe2GaRe
Pm
6
monoclinic
m
11,603.696274
false
[CIF] data_BiSb2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35753662 _cell_length_b 5.19910020 _cell_length_c 6.18630547 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.35844439 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiSb2As _chemical_formula_sum 'Bi1 Sb2 As1' _cell_volume 106.22920281 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Bi Bi1 1 1.12260172 0.00000000 3.04274096 1 Sb Sb2 1 -0.10652433 2.59955010 4.72607703 1 Sb Sb3 1 2.35172777 2.59955010 1.35940489 1 [/CIF]
AsBiSb2
P2/m
10
monoclinic
2/m
8,244.482802
false
[CIF] data_TiBeMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52995103 _cell_length_b 4.52995103 _cell_length_c 4.41188415 _cell_angle_alpha 107.92438282 _cell_angle_beta 107.92438282 _cell_angle_gamma 42.22570166 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiBeMo2 _chemical_formula_sum 'Ti1 Be1 Mo2' _cell_volume 57.43711988 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.95108985 0.00000000 1.01837921 1 Mo Mo1 1 0.05684192 -0.00000000 0.08396393 1 Mo Mo2 1 1.03836603 0.00000000 3.14687198 1 Ti Ti3 1 3.44803680 -0.00000000 1.99810099 1 [/CIF]
BeMo2Ti
Cm
8
monoclinic
m
7,192.922667
false
[CIF] data_KZnP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56305344 _cell_length_b 3.56305344 _cell_length_c 6.65071916 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZnP2 _chemical_formula_sum 'K1 Zn1 P2' _cell_volume 84.43320627 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 P P1 1 1.78152672 1.78152672 2.25662818 1 P P2 1 1.78152672 1.78152672 4.39409098 1 Zn Zn3 1 0.00000000 0.00000000 3.32535958 1 [/CIF]
KP2Zn
P4/mmm
123
tetragonal
4/mmm
3,273.097846
false
[CIF] data_MnGeRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08345514 _cell_length_b 3.08345514 _cell_length_c 6.04577826 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnGeRh2 _chemical_formula_sum 'Mn1 Ge1 Rh2' _cell_volume 57.48141936 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.02288913 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 1.54172757 1.54172757 1.56826539 1 Rh Rh3 1 1.54172757 1.54172757 4.47751287 1 [/CIF]
GeMnRh2
P4/mmm
123
tetragonal
4/mmm
9,631.03451
false
[CIF] data_Li2MgCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16584442 _cell_length_b 3.16584442 _cell_length_c 8.02880542 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2MgCl _chemical_formula_sum 'Li2 Mg1 Cl1' _cell_volume 80.46927150 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 4.01440271 1 Li Li1 1 1.58292221 1.58292221 5.53255989 1 Li Li2 1 1.58292221 1.58292221 2.49624553 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
ClLi2Mg
P4/mmm
123
tetragonal
4/mmm
1,519.612326
false
[CIF] data_YTiTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59828328 _cell_length_b 3.59828328 _cell_length_c 7.30072336 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTiTe2 _chemical_formula_sum 'Y1 Ti1 Te2' _cell_volume 94.52715642 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Te Te0 1 1.79914164 1.79914164 5.63421995 1 Te Te1 1 1.79914164 1.79914164 1.66650341 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 0.00000000 0.00000000 3.65036168 1 [/CIF]
Te2TiY
P4/mmm
123
tetragonal
4/mmm
6,885.710638
false
[CIF] data_NaNiPt4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26921442 _cell_length_b 5.26921442 _cell_length_c 5.26921442 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaNiPt4 _chemical_formula_sum 'Na1 Ni1 Pt4' _cell_volume 103.44812367 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Ni Ni1 1 1.86294863 1.86294863 1.86294863 1 Pt Pt2 1 2.79569995 2.79569995 4.65609455 1 Pt Pt3 1 2.79569995 4.65609455 2.79569995 1 Pt Pt4 1 4.65609455 2.79569995 2.79569995 1 Pt Pt5 1 4.65609455 4.65609455 4.65609455 1 [/CIF]
NaNiPt4
F-43m
216
cubic
-43m
13,837.046589
false
[CIF] data_SrSe2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32466865 _cell_length_b 4.32466865 _cell_length_c 5.95751972 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.97978976 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrSe2Cl _chemical_formula_sum 'Sr1 Se2 Cl1' _cell_volume 111.27140488 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Se Se1 1 2.97745867 0.00000000 1.79931686 1 Se Se2 1 2.97745867 0.00000000 4.15820286 1 Sr Sr3 1 0.00000000 0.00000000 2.97875986 1 [/CIF]
ClSe2Sr
Cmmm
65
orthorhombic
mmm
4,193.349176
false
[CIF] data_BaTl2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82102949 _cell_length_b 4.82102949 _cell_length_c 5.21978786 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTl2Si _chemical_formula_sum 'Ba1 Tl2 Si1' _cell_volume 121.32000767 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.41051474 2.41051474 0.00000000 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 0.00000000 2.41051474 2.60989393 1 Tl Tl3 1 2.41051474 0.00000000 2.60989393 1 [/CIF]
BaSiTl2
P4/mmm
123
tetragonal
4/mmm
7,858.941366
false
[CIF] data_Cr2SnHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72382585 _cell_length_b 4.72382585 _cell_length_c 5.59011242 _cell_angle_alpha 101.67090128 _cell_angle_beta 101.67090128 _cell_angle_gamma 40.42572219 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2SnHg _chemical_formula_sum 'Cr2 Sn1 Hg1' _cell_volume 78.98782827 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.32172872 0.00000000 4.09859892 1 Cr Cr1 1 6.33905892 0.00000000 1.36008657 1 Hg Hg2 1 3.83039382 0.00000000 2.72934275 1 Sn Sn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr2HgSn
C2/m
12
monoclinic
2/m
8,898.753771
false
[CIF] data_Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10827702 _cell_length_b 3.10827702 _cell_length_c 3.10827702 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sb _chemical_formula_sum Sb1 _cell_volume 30.03026418 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sb Sb0 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Sb3
Pm-3m
221
cubic
m-3m
6,732.791122
false
[CIF] data_BSbBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78274255 _cell_length_b 4.78274255 _cell_length_c 4.78274255 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BSbBr _chemical_formula_sum 'B1 Sb1 Br1' _cell_volume 77.35992035 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Br Br1 1 5.07286454 5.07286454 5.07286454 1 Sb Sb2 1 3.38190969 3.38190969 3.38190969 1 [/CIF]
BBrSb
F-43m
216
cubic
-43m
4,560.798881
false
[CIF] data_NaTl2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06890814 _cell_length_b 5.06890814 _cell_length_c 5.06890814 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTl2Mo _chemical_formula_sum 'Na1 Tl2 Mo1' _cell_volume 92.09334873 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.58425932 3.58425932 3.58425932 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 1.79212966 1.79212966 1.79212966 1 Tl Tl3 1 5.37638898 5.37638898 5.37638898 1 [/CIF]
MoNaTl2
Fm-3m
225
cubic
m-3m
9,515.276177
false
[CIF] data_MnAlGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09211015 _cell_length_b 5.09211015 _cell_length_c 2.99824311 _cell_angle_alpha 102.70044848 _cell_angle_beta 102.70044848 _cell_angle_gamma 112.88676944 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnAlGe2 _chemical_formula_sum 'Mn1 Al1 Ge2' _cell_volume 65.71393479 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 0.81110182 2.12172962 1.37544269 1 Ge Ge2 1 0.81110182 -2.12172962 1.37544269 1 Mn Mn3 1 2.81471836 -0.00000000 0.00000000 1 [/CIF]
AlGe2Mn
C2/m
12
monoclinic
2/m
5,741.153466
false
[CIF] data_Ga4CuSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.52200011 _cell_length_b 5.52200011 _cell_length_c 5.52200011 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga4CuSb _chemical_formula_sum 'Ga4 Cu1 Sb1' _cell_volume 119.06229069 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 4.88465533 4.88465533 2.92463211 1 Ga Ga2 1 4.88465533 2.92463211 4.88465533 1 Ga Ga3 1 2.92463211 4.88465533 4.88465533 1 Ga Ga4 1 2.92463211 2.92463211 2.92463211 1 Sb Sb5 1 5.85696558 5.85696558 5.85696558 1 [/CIF]
CuGa4Sb
F-43m
216
cubic
-43m
6,474.080997
false
[CIF] data_HfCoCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46259829 _cell_length_b 4.46259829 _cell_length_c 3.04404429 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.45426823 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCoCu2 _chemical_formula_sum 'Hf1 Co1 Cu2' _cell_volume 56.42100853 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 1.25652212 1.84386769 1.52202214 1 Cu Cu2 1 1.25652211 -1.84386769 1.52202214 1 Hf Hf3 1 2.51304423 -0.00000000 0.00000000 1 [/CIF]
CoCu2Hf
Cmmm
65
orthorhombic
mmm
10,728.126587
false
[CIF] data_Mn2Cr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.24546369 _cell_length_b 6.08309518 _cell_length_c 2.45221994 _cell_angle_alpha 82.27239162 _cell_angle_beta 74.83068906 _cell_angle_gamma 22.89691933 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2Cr _chemical_formula_sum 'Mn2 Cr1' _cell_volume 33.54582740 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 1.41626498 2.00189314 3.94851602 1 Mn Mn2 1 1.41626498 2.00189314 7.88334613 1 [/CIF]
CrMn2
Fmmm
69
orthorhombic
mmm
8,012.773143
false
[CIF] data_KTe2O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43085600 _cell_length_b 8.80174000 _cell_length_c 16.63221595 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.60881081 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTe2O9 _chemical_formula_sum 'K4 Te8 O36' _cell_volume 786.07888747 _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 K K0 1 0.68698567 0.88141505 12.90695270 1 K K1 1 1.00942083 5.28228505 11.76028780 1 K K2 1 2.25423733 7.92032495 3.53787430 1 K K3 1 1.93180217 3.51945495 4.68453920 1 Te Te4 1 -1.99307120 7.03394573 14.64472690 1 Te Te5 1 3.68947770 2.63307573 10.02251360 1 Te Te6 1 4.93429420 1.76779427 1.80010010 1 Te Te7 1 -0.74825470 6.16866427 6.42231340 1 Te Te8 1 -0.68566869 8.07293832 9.42071515 1 Te Te9 1 2.38207519 3.67206832 15.24652535 1 Te Te10 1 3.62689169 0.72880168 7.02411185 1 Te Te11 1 0.55914781 5.12967168 1.19830165 1 O O12 1 -0.07269839 0.47908751 7.96478884 1 O O13 1 4.25873789 4.87995751 0.25762466 1 O O14 1 3.01392139 8.32265249 8.48003816 1 O O15 1 -1.31751489 3.92178249 16.18720234 1 O O16 1 2.77052459 5.28303319 14.10278763 1 O O17 1 -1.07411809 0.88216319 10.56445287 1 O O18 1 0.17069841 3.51870681 2.34203937 1 O O19 1 4.01534109 7.91957681 5.88037413 1 O O20 1 -0.28895439 6.48945249 8.27533295 1 O O21 1 1.98536089 2.08858249 16.39190755 1 O O22 1 3.23017739 2.31228751 8.16949405 1 O O23 1 0.95586211 6.71315751 0.05291945 1 O O24 1 -1.39034597 0.09336886 14.67483738 1 O O25 1 3.08675247 4.49423886 9.99240312 1 O O26 1 4.33156897 8.70837114 1.76998962 1 O O27 1 -0.14552947 4.30750114 6.45242388 1 O O28 1 0.92009397 7.82075967 10.39232487 1 O O29 1 0.77631253 3.41988967 14.27491563 1 O O30 1 2.02112903 0.98098033 6.05250213 1 O O31 1 2.16491047 5.38185033 2.16991137 1 O O32 1 1.66745832 7.79112421 15.01728446 1 O O33 1 0.02894818 3.39025421 9.64995604 1 O O34 1 1.27376468 1.01061579 1.42754254 1 O O35 1 2.91227482 5.41148579 6.79487096 1 O O36 1 -1.24932737 6.90761435 10.82696165 1 O O37 1 2.94573387 2.50674435 13.84027885 1 O O38 1 4.19055037 1.89412565 5.61786535 1 O O39 1 -0.00451087 6.29499565 2.60454815 1 O O40 1 2.83784629 7.86496201 12.96845635 1 O O41 1 -1.14143979 3.46409201 11.69878415 1 O O42 1 0.10337671 0.93677799 3.47637065 1 O O43 1 4.08266279 5.33764799 4.74604285 1 O O44 1 -0.23959693 6.70642418 13.93199166 1 O O45 1 1.93600343 2.30555418 10.73524884 1 O O46 1 3.18081993 2.09531582 2.51283534 1 O O47 1 1.00521957 6.49618582 5.70957816 1 [/CIF]
K4O36Te8
P2_1/c
14
monoclinic
2/m
3,703.45773
true
[CIF] data_HfAlSnPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16472651 _cell_length_b 5.16472651 _cell_length_c 5.16472651 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfAlSnPb _chemical_formula_sum 'Hf1 Al1 Sn1 Pb1' _cell_volume 97.41525912 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 1.82600657 1.82600657 1.82600657 1 Pb Pb2 1 3.65201314 3.65201314 3.65201314 1 Sn Sn3 1 5.47801971 5.47801971 5.47801971 1 [/CIF]
AlHfPbSn
F-43m
216
cubic
-43m
9,057.92185
false
[CIF] data_ScGaSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89545691 _cell_length_b 2.89545691 _cell_length_c 8.29224365 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScGaSi2 _chemical_formula_sum 'Sc1 Ga1 Si2' _cell_volume 69.51944027 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.14612182 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Si Si2 1 1.44772845 1.44772845 1.99260650 1 Si Si3 1 1.44772845 1.44772845 6.29963715 1 [/CIF]
GaScSi2
P4/mmm
123
tetragonal
4/mmm
4,080.95996
false
[CIF] data_KHgBiPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24809341 _cell_length_b 5.24809341 _cell_length_c 5.24809341 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KHgBiPd _chemical_formula_sum 'K1 Hg1 Bi1 Pd1' _cell_volume 102.20912534 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.56644366 5.56644366 5.56644366 1 Hg Hg1 1 3.71096244 3.71096244 3.71096244 1 K K2 1 -0.00000000 -0.00000000 0.00000000 1 Pd Pd3 1 1.85548122 1.85548122 1.85548122 1 [/CIF]
BiHgKPd
F-43m
216
cubic
-43m
9,018.240482
false
[CIF] data_NaZrTiPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78675145 _cell_length_b 4.78675145 _cell_length_c 4.78675145 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZrTiPd _chemical_formula_sum 'Na1 Zr1 Ti1 Pd1' _cell_volume 77.55461293 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Pd Pd1 1 5.07711662 5.07711662 5.07711662 1 Ti Ti2 1 1.69237221 1.69237221 1.69237221 1 Zr Zr3 1 3.38474441 3.38474441 3.38474441 1 [/CIF]
NaPdTiZr
F-43m
216
cubic
-43m
5,748.929689
false
[CIF] data_VTc2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28756820 _cell_length_b 5.28756820 _cell_length_c 5.28756820 _cell_angle_alpha 147.54614710 _cell_angle_beta 129.97543824 _cell_angle_gamma 60.90342921 _symmetry_Int_Tables_number 1 _chemical_formula_structural VTc2Br _chemical_formula_sum 'V1 Tc2 Br1' _cell_volume 60.22874211 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.55818294 1 Tc Tc1 1 1.47757059 -0.00000000 2.42413121 1 Tc Tc2 1 -0.00000000 2.23564999 2.13405173 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrTc2V
Immm
71
orthorhombic
mmm
9,061.27645
false
[CIF] data_ScIrPt4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23252537 _cell_length_b 5.23252537 _cell_length_c 5.23252537 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScIrPt4 _chemical_formula_sum 'Sc1 Ir1 Pt4' _cell_volume 101.30223557 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.84997708 1.84997708 1.84997708 1 Pt Pt1 1 2.78051457 2.78051457 4.61939377 1 Pt Pt2 1 2.78051457 4.61939377 2.78051457 1 Pt Pt3 1 4.61939377 2.78051457 2.78051457 1 Pt Pt4 1 4.61939377 4.61939377 4.61939377 1 Sc Sc5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrPt4Sc
F-43m
216
cubic
-43m
16,678.933979
false
[CIF] data_Nb2Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76981236 _cell_length_b 4.76981236 _cell_length_c 2.87402486 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2Cd _chemical_formula_sum 'Nb2 Cd1' _cell_volume 56.62702428 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 0.00000000 2.75385245 1.43701243 1 Nb Nb2 1 2.38490618 1.37692622 1.43701243 1 [/CIF]
Cd2Nb4
P6/mmm
191
hexagonal
6/mmm
8,745.156955
false
[CIF] data_CaGaNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12731286 _cell_length_b 3.12731286 _cell_length_c 6.44313509 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaGaNi2 _chemical_formula_sum 'Ca1 Ga1 Ni2' _cell_volume 63.01441351 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 3.22156755 1 Ni Ni2 1 1.56365643 1.56365643 4.45537283 1 Ni Ni3 1 1.56365643 1.56365643 1.98776226 1 [/CIF]
CaGaNi2
P4/mmm
123
tetragonal
4/mmm
5,986.792486
false
[CIF] data_Cu2HgMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84784325 _cell_length_b 2.84784325 _cell_length_c 7.42419007 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2HgMo _chemical_formula_sum 'Cu2 Hg1 Mo1' _cell_volume 60.21174928 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.42392162 1.42392162 0.11570526 1 Cu Cu1 1 0.00000000 0.00000000 1.60188126 1 Hg Hg2 1 1.42392162 1.42392162 3.59450425 1 Mo Mo3 1 0.00000000 0.00000000 5.82419433 1 [/CIF]
Cu2HgMo
P4mm
99
tetragonal
4mm
11,683.335888
false
[CIF] data_YSc2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46505172 _cell_length_b 5.46505172 _cell_length_c 3.41487140 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.37538133 _symmetry_Int_Tables_number 1 _chemical_formula_structural YSc2Ag _chemical_formula_sum 'Y1 Sc2 Ag1' _cell_volume 97.33725802 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.23632881 0.00000000 0.00000000 1 Sc Sc1 1 1.61816441 -2.20187228 1.70743570 1 Sc Sc2 1 1.61816441 2.20187228 1.70743570 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgSc2Y
Cmmm
65
orthorhombic
mmm
4,890.759236
false
[CIF] data_Zn2CuIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33786020 _cell_length_b 4.33786020 _cell_length_c 2.95621077 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 100.85406717 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2CuIr _chemical_formula_sum 'Zn2 Cu1 Ir1' _cell_volume 54.63194054 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 2.76347883 0.00000000 0.00000000 1 Zn Zn2 1 1.38173942 -1.67184149 1.47810538 1 Zn Zn3 1 1.38173941 1.67184149 1.47810538 1 [/CIF]
CuIrZn2
Cmmm
65
orthorhombic
mmm
11,748.375314
false
[CIF] data_CrPPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22249727 _cell_length_b 3.22249727 _cell_length_c 6.17616489 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrPPb _chemical_formula_sum 'Cr1 P1 Pb1' _cell_volume 55.54367736 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000002 1.86050967 0.31544379 1 P P1 1 0.00000000 0.00000000 1.63170194 1 Pb Pb2 1 1.61124862 0.93025484 4.22901916 1 [/CIF]
CrPPb
P3m1
156
trigonal
3m
8,674.945835
false
[CIF] data_CuTcNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.08941872 _cell_length_b 4.08941872 _cell_length_c 4.08941872 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuTcNi2 _chemical_formula_sum 'Cu1 Tc1 Ni2' _cell_volume 48.35815748 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 4.33748357 4.33748357 4.33748357 1 Ni Ni2 1 1.44582786 1.44582786 1.44582786 1 Tc Tc3 1 2.89165571 2.89165571 2.89165571 1 [/CIF]
CuNi2Tc
Fm-3m
225
cubic
m-3m
9,609.207962
false
[CIF] data_TlRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.43544730 _cell_length_b 10.43544730 _cell_length_c 10.43544730 _cell_angle_alpha 16.48116393 _cell_angle_beta 16.48116393 _cell_angle_gamma 16.48116393 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlRe _chemical_formula_sum 'Tl2 Re2' _cell_volume 79.75662667 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Re Re0 1 -0.00000000 -0.00000000 26.70949602 1 Re Re1 1 0.00000000 -0.00000000 4.16510823 1 Tl Tl2 1 0.00000000 0.00000000 11.85258088 1 Tl Tl3 1 0.00000000 0.00000000 19.02202337 1 [/CIF]
Re2Tl2
R-3m
166
trigonal
-3m
16,264.23982
false
[CIF] data_Co2BPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00661871 _cell_length_b 4.00661871 _cell_length_c 4.00661871 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2BPt _chemical_formula_sum 'Co2 B1 Pt1' _cell_volume 45.47985241 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Co Co1 1 4.24966089 4.24966089 4.24966089 1 Co Co2 1 1.41655363 1.41655363 1.41655363 1 Pt Pt3 1 2.83310726 2.83310726 2.83310726 1 [/CIF]
BCo2Pt
Fm-3m
225
cubic
m-3m
11,821.024209
false
[CIF] data_LiAl2Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01498352 _cell_length_b 5.01498352 _cell_length_c 5.01498352 _cell_angle_alpha 130.39348509 _cell_angle_beta 130.39348509 _cell_angle_gamma 72.77849301 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAl2Cd _chemical_formula_sum 'Li1 Al2 Cd1' _cell_volume 71.47246470 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.10380410 -0.00000000 2.01854380 1 Al Al1 1 0.00000000 -0.00000000 4.03708760 1 Cd Cd2 1 -0.00000000 2.10380410 2.01854380 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2CdLi
I-4m2
119
tetragonal
-42m
4,026.675976
false
[CIF] data_CdFeIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24413935 _cell_length_b 5.24413935 _cell_length_c 5.24413935 _cell_angle_alpha 147.11674907 _cell_angle_beta 142.46835902 _cell_angle_gamma 50.74331696 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdFeIr _chemical_formula_sum 'Cd1 Fe1 Ir1' _cell_volume 47.46037111 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.01831307 1 Fe Fe1 1 -0.00000000 -0.00000000 6.50523076 1 Ir Ir2 1 -0.00000000 0.00000000 2.95311267 1 [/CIF]
CdFeIr
Imm2
44
orthorhombic
mm2
12,612.195922
false
[CIF] data_YMoPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.52604446 _cell_length_b 7.32566628 _cell_length_c 3.23328651 _cell_angle_alpha 80.91723907 _cell_angle_beta 73.98106489 _cell_angle_gamma 25.10169604 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMoPb _chemical_formula_sum 'Y1 Mo1 Pb1' _cell_volume 70.81126301 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.93367304 2.59134140 0.03353779 1 Pb Pb1 1 1.93367304 2.59134140 9.21327054 1 Y Y2 1 1.93367304 2.59134140 4.88489998 1 [/CIF]
MoPbY
Fmm2
42
orthorhombic
mm2
9,194.026952
false
[CIF] data_KMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30026657 _cell_length_b 4.30026657 _cell_length_c 4.30026657 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMo _chemical_formula_sum 'K1 Mo1' _cell_volume 79.52178755 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 2.15013329 2.15013329 2.15013329 1 [/CIF]
KMo
Pm-3m
221
cubic
m-3m
2,820.228145
false
[CIF] data_Mg3B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75450954 _cell_length_b 5.75450954 _cell_length_c 13.82563424 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg3B _chemical_formula_sum 'Mg18 B6' _cell_volume 396.49007818 _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 B B0 1 0.00000000 0.00000000 3.45640856 1 B B1 1 0.00000000 0.00000000 10.36922568 1 B B2 1 2.87725477 1.66118382 12.55199649 1 B B3 1 2.87725477 1.66118382 8.18645487 1 B B4 1 0.00000000 3.32236763 5.63917937 1 B B5 1 0.00000000 3.32236763 1.27363775 1 Mg Mg6 1 -0.00000000 4.89860681 3.45640856 1 Mg Mg7 1 -1.36506317 2.53424804 3.45640856 1 Mg Mg8 1 1.36506317 2.53424804 3.45640856 1 Mg Mg9 1 2.87725477 0.08494463 10.36922568 1 Mg Mg10 1 4.24231794 2.44930341 10.36922568 1 Mg Mg11 1 1.51219160 2.44930341 10.36922568 1 Mg Mg12 1 2.87725477 3.32795077 5.73562852 1 Mg Mg13 1 1.43379224 0.82780034 5.73562852 1 Mg Mg14 1 4.32071730 0.82780034 5.73562852 1 Mg Mg15 1 2.87725477 3.32795077 1.17718860 1 Mg Mg16 1 1.43379224 0.82780034 1.17718860 1 Mg Mg17 1 4.32071730 0.82780034 1.17718860 1 Mg Mg18 1 0.00000000 1.65560068 8.09000572 1 Mg Mg19 1 1.44346253 4.15575111 8.09000572 1 Mg Mg20 1 -1.44346253 4.15575111 8.09000572 1 Mg Mg21 1 0.00000000 1.65560068 12.64844564 1 Mg Mg22 1 1.44346253 4.15575111 12.64844564 1 Mg Mg23 1 -1.44346253 4.15575111 12.64844564 1 [/CIF]
B6Mg18
P6_3/mmc
194
hexagonal
6/mmm
2,103.915859
false
[CIF] data_Bi2WCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.81935348 _cell_length_b 6.81935348 _cell_length_c 6.60388328 _cell_angle_alpha 117.63130260 _cell_angle_beta 117.63130260 _cell_angle_gamma 26.53244282 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi2WCl _chemical_formula_sum 'Bi2 W1 Cl1' _cell_volume 120.60972185 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.62989095 0.00000000 0.82913529 1 Bi Bi1 1 0.92977638 0.00000000 4.53008253 1 Cl Cl2 1 3.96756650 0.00000000 2.47080668 1 W W3 1 9.66480619 -0.00000000 0.87894677 1 [/CIF]
Bi2ClW
Cm
8
monoclinic
m
8,773.62798
false
[CIF] data_Nb2BSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85708114 _cell_length_b 4.85708114 _cell_length_c 3.13563903 _cell_angle_alpha 100.27296344 _cell_angle_beta 100.27296344 _cell_angle_gamma 106.48715912 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2BSb _chemical_formula_sum 'Nb2 B1 Sb1' _cell_volume 67.70893571 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 0.98603605 1.94571455 1.49657846 1 Nb Nb2 1 0.98603605 -1.94571455 1.49657846 1 Sb Sb3 1 2.90654722 -0.00000000 0.00000000 1 [/CIF]
BNb2Sb
C2/m
12
monoclinic
2/m
7,808.255529
false
[CIF] data_Hf2MgSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.54460206 _cell_length_b 4.80442097 _cell_length_c 4.82894907 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2MgSe _chemical_formula_sum 'Hf2 Mg1 Se1' _cell_volume 82.23584597 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.77230103 2.40221048 0.00000000 1 Hf Hf1 1 0.00000000 2.40221048 2.41447454 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Se Se3 1 1.77230103 0.00000000 2.41447454 1 [/CIF]
Hf2MgSe
Pmmm
47
orthorhombic
mmm
9,293.450972
false
[CIF] data_MnRe2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.02481234 _cell_length_b 7.02481234 _cell_length_c 7.02481234 _cell_angle_alpha 23.46251775 _cell_angle_beta 23.46251775 _cell_angle_gamma 23.46251775 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnRe2B _chemical_formula_sum 'Mn1 Re2 B1' _cell_volume 48.25583727 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.36286941 1 Mn Mn1 1 0.00000000 -0.00000000 4.62129292 1 Re Re2 1 -0.00000000 0.00000000 20.41799711 1 Re Re3 1 -0.00000000 -0.00000000 15.81133753 1 [/CIF]
BMnRe2
R3m
160
trigonal
3m
15,077.696172
false
[CIF] data_Sc2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.92653750 _cell_length_b 5.92653750 _cell_length_c 5.92653750 _cell_angle_alpha 148.53071070 _cell_angle_beta 146.69800778 _cell_angle_gamma 46.47204779 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2Ir _chemical_formula_sum 'Sc2 Ir1' _cell_volume 59.45305581 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 0.00000000 0.00000000 0.00000000 1 Sc Sc1 1 -0.00000000 0.00000000 6.96591113 1 Sc Sc2 1 0.00000000 0.00000000 3.92573099 1 [/CIF]
IrSc2
Immm
71
orthorhombic
mmm
7,879.930269
false
[CIF] data_YSiTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.85816559 _cell_length_b 7.85816559 _cell_length_c 7.85816559 _cell_angle_alpha 24.15250148 _cell_angle_beta 24.15250148 _cell_angle_gamma 24.15250148 _symmetry_Int_Tables_number 1 _chemical_formula_structural YSiTc2 _chemical_formula_sum 'Y1 Si1 Tc2' _cell_volume 71.39617103 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Si Si0 1 0.00000000 0.00000000 0.00000000 1 Tc Tc1 1 -0.00000000 -0.00000000 16.75229875 1 Tc Tc2 1 0.00000000 0.00000000 6.12395071 1 Y Y3 1 -0.00000000 -0.00000000 11.43812473 1 [/CIF]
SiTc2Y
R-3m
166
trigonal
-3m
7,321.73613
false
[CIF] data_CrMoIrW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37408122 _cell_length_b 4.37408122 _cell_length_c 4.37408122 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrMoIrW _chemical_formula_sum 'Cr1 Mo1 Ir1 W1' _cell_volume 59.17598971 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.09294249 3.09294249 3.09294249 1 Mo Mo2 1 1.54647124 1.54647124 1.54647124 1 W W3 1 4.63941373 4.63941373 4.63941374 1 [/CIF]
CrIrMoW
F-43m
216
cubic
-43m
14,704.345939
false
[CIF] data_Ti2MnTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98793696 _cell_length_b 3.98793696 _cell_length_c 4.11312985 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2MnTe _chemical_formula_sum 'Ti2 Mn1 Te1' _cell_volume 65.41374133 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Te Te1 1 1.99396848 1.99396848 0.00000000 1 Ti Ti2 1 1.99396848 0.00000000 2.05656492 1 Ti Ti3 1 0.00000000 1.99396848 2.05656492 1 [/CIF]
MnTeTi2
P4/mmm
123
tetragonal
4/mmm
7,063.98369
false
[CIF] data_TiNiP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27434333 _cell_length_b 4.27434333 _cell_length_c 4.27434333 _cell_angle_alpha 127.46071768 _cell_angle_beta 111.88359666 _cell_angle_gamma 91.09215273 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiNiP2 _chemical_formula_sum 'Ti1 Ni1 P2' _cell_volume 54.22466695 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 0.00000000 2.99347417 1 P P1 1 1.89180775 0.00000000 1.77706870 1 P P2 1 -0.00000000 2.39378084 1.21640547 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NiP2Ti
Immm
71
orthorhombic
mmm
5,160.271268
false
[CIF] data_Ba2NaIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50383291 _cell_length_b 5.50383291 _cell_length_c 5.50383291 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2NaIr _chemical_formula_sum 'Ba2 Na1 Ir1' _cell_volume 117.89101948 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.94589879 1.94589879 1.94589879 1 Ba Ba1 1 3.89179757 3.89179757 3.89179757 1 Ir Ir2 1 5.83769636 5.83769636 5.83769636 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba2IrNa
F-43m
216
cubic
-43m
6,899.872002
false
[CIF] data_B2SbSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37113498 _cell_length_b 4.37113498 _cell_length_c 3.14770055 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B2SbSe _chemical_formula_sum 'B2 Sb1 Se1' _cell_volume 60.14255092 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.18556749 1.57385028 1 B B1 1 2.18556749 0.00000000 1.57385028 1 Sb Sb2 1 2.18556749 2.18556749 0.00000000 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2SbSe
P4/mmm
123
tetragonal
4/mmm
6,138.91902
false
[CIF] data_CaTl2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81931586 _cell_length_b 4.63655363 _cell_length_c 6.98571559 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTl2Bi _chemical_formula_sum 'Ca1 Tl2 Bi1' _cell_volume 123.70628476 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.49285780 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 1.90965793 2.31827681 1.78570909 1 Tl Tl3 1 1.90965793 2.31827681 5.20000650 1 [/CIF]
BiCaTl2
Pmmm
47
orthorhombic
mmm
8,830.14241
false
[CIF] data_BiC3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04442854 _cell_length_b 4.04442854 _cell_length_c 4.04442854 _cell_angle_alpha 114.99384137 _cell_angle_beta 114.99384137 _cell_angle_gamma 98.91437876 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiC3 _chemical_formula_sum 'Bi1 C3' _cell_volume 49.66630798 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.62894339 1 C C1 1 0.00000000 2.17325319 1.31447170 1 C C2 1 0.00000000 0.00000000 0.00000000 1 C C3 1 2.17325319 0.00000000 1.31447170 1 [/CIF]
C3Bi
I4/mmm
139
tetragonal
4/mmm
8,191.726839
false
[CIF] data_Na2MoPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60674398 _cell_length_b 4.60674398 _cell_length_c 4.60674398 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2MoPt _chemical_formula_sum 'Na2 Mo1 Pt1' _cell_volume 69.13010781 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.25745991 3.25745991 3.25745991 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Na Na2 1 1.62872996 1.62872996 1.62872996 1 Pt Pt3 1 4.88618987 4.88618987 4.88618987 1 [/CIF]
MoNa2Pt
F-43m
216
cubic
-43m
8,095.470554
false
[CIF] data_LiOsPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76772269 _cell_length_b 2.76772269 _cell_length_c 7.46711131 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiOsPd2 _chemical_formula_sum 'Li1 Os1 Pd2' _cell_volume 57.20022980 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 0.00000000 0.00000000 3.73355565 1 Pd Pd2 1 1.38386134 1.38386134 5.63490173 1 Pd Pd3 1 1.38386134 1.38386134 1.83220958 1 [/CIF]
LiOsPd2
P4/mmm
123
tetragonal
4/mmm
11,902.736853
false
[CIF] data_HfAgSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80885877 _cell_length_b 5.80885877 _cell_length_c 5.80885877 _cell_angle_alpha 138.04282311 _cell_angle_beta 138.04282311 _cell_angle_gamma 60.83741933 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfAgSn2 _chemical_formula_sum 'Hf1 Ag1 Sn2' _cell_volume 86.66174942 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 -0.00000000 2.07968206 2.50462998 1 Sn Sn2 1 0.00000000 -0.00000000 5.00925995 1 Sn Sn3 1 2.07968206 -0.00000000 2.50462998 1 [/CIF]
AgHfSn2
I-4m2
119
tetragonal
-42m
10,036.20577
false
[CIF] data_Al2GaW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75259461 _cell_length_b 4.75259461 _cell_length_c 2.80767260 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2GaW _chemical_formula_sum 'Al2 Ga1 W1' _cell_volume 63.41733769 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.37629731 0.00000000 1.40383630 1 Al Al1 1 0.00000000 2.37629731 1.40383630 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 2.37629731 2.37629731 0.00000000 1 [/CIF]
Al2GaW
P4/mmm
123
tetragonal
4/mmm
8,052.357349
false
[CIF] data_AgOsSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.67446221 _cell_length_b 7.67446221 _cell_length_c 7.67446221 _cell_angle_alpha 26.78581328 _cell_angle_beta 26.78581328 _cell_angle_gamma 26.78581328 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgOsSe2 _chemical_formula_sum 'Ag1 Os1 Se2' _cell_volume 80.94636714 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 -0.00000000 -0.00000000 -0.00000000 1 Os Os1 1 -0.00000000 0.00000000 11.09230924 1 Se Se2 1 -0.00000000 0.00000000 5.18504716 1 Se Se3 1 -0.00000000 0.00000000 16.99957133 1 [/CIF]
AgOsSe2
R-3m
166
trigonal
-3m
9,354.787152
false
[CIF] data_NaSrYPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28721455 _cell_length_b 5.28721455 _cell_length_c 5.28721455 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSrYPd _chemical_formula_sum 'Na1 Sr1 Y1 Pd1' _cell_volume 104.51191453 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Pd Pd1 1 5.60793789 5.60793789 5.60793789 1 Sr Sr2 1 1.86931263 1.86931263 1.86931263 1 Y Y3 1 3.73862526 3.73862526 3.73862526 1 [/CIF]
NaPdSrY
F-43m
216
cubic
-43m
4,860.862515
false
[CIF] data_Hf2BiP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.12408014 _cell_length_b 7.12408014 _cell_length_c 7.12408014 _cell_angle_alpha 31.35498599 _cell_angle_beta 31.35498599 _cell_angle_gamma 31.35498599 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2BiP _chemical_formula_sum 'Hf2 Bi1 P1' _cell_volume 86.89134471 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.15260105 1 Hf Hf1 1 -0.00000000 0.00000000 5.48998044 1 Hf Hf2 1 0.00000000 -0.00000000 14.81522166 1 P P3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
BiHf2P
R-3m
166
trigonal
-3m
11,407.724202
false
[CIF] data_InNiHg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07913224 _cell_length_b 5.07913224 _cell_length_c 5.07913224 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InNiHg3 _chemical_formula_sum 'In1 Ni1 Hg3' _cell_volume 131.02934219 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 0.00000000 2.53956612 0.00000000 1 Hg Hg2 1 0.00000000 0.00000000 2.53956612 1 Hg Hg3 1 2.53956612 0.00000000 0.00000000 1 In In4 1 2.53956612 2.53956612 2.53956612 1 [/CIF]
Hg3InNi
Pm-3m
221
cubic
m-3m
9,825.16611
false
[CIF] data_HgRh2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21710904 _cell_length_b 4.32972030 _cell_length_c 5.32735409 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.07201016 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgRh2Br _chemical_formula_sum 'Hg1 Rh2 Br1' _cell_volume 74.20562777 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 1.60520677 0.00000000 2.66367494 1 Rh Rh2 1 0.67037653 2.16486015 4.06632488 1 Rh Rh3 1 2.54003701 2.16486015 1.26102501 1 [/CIF]
BrHgRh2
P2/m
10
monoclinic
2/m
10,882.307382
false
[CIF] data_K2ZnCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.96257081 _cell_length_b 5.96257081 _cell_length_c 5.96257081 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2ZnCr _chemical_formula_sum 'K2 Zn1 Cr1' _cell_volume 149.89448356 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 2.10808712 2.10808713 2.10808713 1 K K2 1 6.32426138 6.32426138 6.32426137 1 Zn Zn3 1 4.21617425 4.21617425 4.21617425 1 [/CIF]
CrK2Zn
Fm-3m
225
cubic
m-3m
2,166.564779
false
[CIF] data_BeCuTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62890617 _cell_length_b 3.62890617 _cell_length_c 4.30613162 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCuTe _chemical_formula_sum 'Be1 Cu1 Te1' _cell_volume 49.10994065 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.05872827 1 Cu Cu1 1 0.00000000 2.09514995 1.16175917 1 Te Te2 1 1.81445308 1.04757498 3.08564418 1 [/CIF]
BeCuTe
P3m1
156
trigonal
3m
6,767.886027
false
[CIF] data_Ba2CaLa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.54298726 _cell_length_b 6.54298726 _cell_length_c 6.54298726 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2CaLa _chemical_formula_sum 'Ba2 Ca1 La1' _cell_volume 198.06750274 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.93988599 6.93988599 6.93988599 1 Ba Ba1 1 2.31329533 2.31329533 2.31329533 1 Ca Ca2 1 0.00000000 0.00000000 0.00000000 1 La La3 1 4.62659066 4.62659066 4.62659066 1 [/CIF]
Ba2CaLa
Fm-3m
225
cubic
m-3m
3,803.161703
false
[CIF] data_KSi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86115157 _cell_length_b 4.86115157 _cell_length_c 4.86115157 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSi3 _chemical_formula_sum 'K1 Si3' _cell_volume 81.22738836 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 3.43735324 3.43735324 3.43735324 1 Si Si1 1 5.15602986 5.15602986 5.15602986 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 Si Si3 1 1.71867662 1.71867662 1.71867662 1 [/CIF]
KSi3
Fm-3m
225
cubic
m-3m
2,521.753667
false
[CIF] data_ScTi2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62564181 _cell_length_b 3.62564181 _cell_length_c 6.32610454 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTi2Bi _chemical_formula_sum 'Sc1 Ti2 Bi1' _cell_volume 83.15840622 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.81282090 1.81282090 3.07475181 1 Sc Sc1 1 0.00000000 0.00000000 4.81925244 1 Ti Ti2 1 1.81282090 1.81282090 0.11522082 1 Ti Ti3 1 0.00000000 0.00000000 1.47993181 1 [/CIF]
BiScTi2
P4mm
99
tetragonal
4mm
6,982.351393
false
[CIF] data_IrAu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84912356 _cell_length_b 2.84912356 _cell_length_c 9.74723601 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural IrAu3 _chemical_formula_sum 'Ir1 Au3' _cell_volume 68.52273376 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.42456178 0.82247113 2.37217956 1 Au Au1 1 1.42456178 0.82247113 7.37505645 1 Au Au2 1 0.00000000 0.00000000 4.87361800 1 Ir Ir3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au3Ir
P-6m2
187
hexagonal
-6m2
18,977.583263
false
[CIF] data_CaLa2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06328489 _cell_length_b 5.06328489 _cell_length_c 4.26120515 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaLa2Ru _chemical_formula_sum 'Ca1 La2 Ru1' _cell_volume 109.24389384 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 La La1 1 0.00000000 2.53164245 2.13060258 1 La La2 1 2.53164245 0.00000000 2.13060258 1 Ru Ru3 1 2.53164245 2.53164245 0.00000000 1 [/CIF]
CaLa2Ru
P4/mmm
123
tetragonal
4/mmm
6,368.325379
false
[CIF] data_Y2MgAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14145255 _cell_length_b 5.14145255 _cell_length_c 5.14145255 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2MgAu _chemical_formula_sum 'Y2 Mg1 Au1' _cell_volume 96.10422864 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.81777798 1.81777798 1.81777798 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 5.45333394 5.45333394 5.45333394 1 Y Y3 1 3.63555596 3.63555596 3.63555596 1 [/CIF]
AuMgY2
F-43m
216
cubic
-43m
6,895.5692
false
[CIF] data_LaCoPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28973239 _cell_length_b 3.28973239 _cell_length_c 6.76809188 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCoPt2 _chemical_formula_sum 'La1 Co1 Pt2' _cell_volume 73.24658605 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 3.38404594 1 Pt Pt2 1 1.64486620 1.64486620 5.45430054 1 Pt Pt3 1 1.64486620 1.64486620 1.31379134 1 [/CIF]
CoLaPt2
P4/mmm
123
tetragonal
4/mmm
13,330.423865
false
[CIF] data_Cd2IrW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87333682 _cell_length_b 3.84659317 _cell_length_c 6.47096527 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.14739415 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2IrW _chemical_formula_sum 'Cd2 Ir1 W1' _cell_volume 71.50637696 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.11213355 1.92329658 6.40678118 1 Cd Cd1 1 1.41837221 0.00000000 1.68974887 1 Ir Ir2 1 2.78738846 1.92329658 3.45445821 1 W W3 1 1.32910244 0.00000000 4.62318125 1 [/CIF]
Cd2IrW
Pm
6
monoclinic
m
13,953.763234
false
[CIF] data_La3MgN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.71101040 _cell_length_b 5.71101040 _cell_length_c 5.71101040 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La3MgN _chemical_formula_sum 'La3 Mg1 N1' _cell_volume 186.26825804 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.85550520 2.85550520 2.85550520 1 N N1 1 0.00000000 0.00000000 0.00000000 1 La La2 1 2.85550520 0.00000000 2.85550520 1 La La3 1 2.85550520 2.85550520 0.00000000 1 La La4 1 0.00000000 2.85550520 2.85550520 1 [/CIF]
La3MgN
Pm-3m
221
cubic
m-3m
4,056.471892
false
[CIF] data_ZnPb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.08210176 _cell_length_b 6.08210176 _cell_length_c 5.79864775 _cell_angle_alpha 108.38971452 _cell_angle_beta 108.38971452 _cell_angle_gamma 33.85866473 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnPb3 _chemical_formula_sum 'Zn1 Pb3' _cell_volume 112.82453011 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.86242345 -0.00000000 2.73714012 1 Pb Pb1 1 8.00880193 -0.00000000 1.24979088 1 Pb Pb2 1 1.71604496 0.00000000 4.22448936 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pb3Zn
C2/m
12
monoclinic
2/m
10,110.896335
false
[CIF] data_SiBi2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.33133302 _cell_length_b 7.33133302 _cell_length_c 7.33133302 _cell_angle_alpha 33.17902562 _cell_angle_beta 33.17902562 _cell_angle_gamma 33.17902562 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiBi2As _chemical_formula_sum 'Si1 Bi2 As1' _cell_volume 105.05227077 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.38217985 1 Bi Bi1 1 -0.00000000 -0.00000000 15.49496101 1 Bi Bi2 1 -0.00000000 -0.00000000 5.26939869 1 Si Si3 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
AsBi2Si
R-3m
166
trigonal
-3m
8,240.952615
false
[CIF] data_Tc2TeAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04365556 _cell_length_b 5.04365556 _cell_length_c 5.04365556 _cell_angle_alpha 132.40999845 _cell_angle_beta 132.40999845 _cell_angle_gamma 69.58224465 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc2TeAu _chemical_formula_sum 'Tc2 Te1 Au1' _cell_volume 68.60848333 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 -0.00000000 2.03494082 2.07101987 1 Tc Tc1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 2.03494082 -0.00000000 2.07101987 1 Te Te3 1 0.00000000 0.00000000 4.14203973 1 [/CIF]
AuTc2Te
I-4m2
119
tetragonal
-42m
12,643.198676
false
[CIF] data_SrTlVCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94180599 _cell_length_b 4.94180599 _cell_length_c 4.94180599 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTlVCo _chemical_formula_sum 'Sr1 Tl1 V1 Co1' _cell_volume 85.33792480 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 1.74719227 1.74719227 1.74719227 1 Sr Sr1 1 5.24157680 5.24157680 5.24157680 1 Tl Tl2 1 3.49438453 3.49438453 3.49438453 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CoSrTlV
F-43m
216
cubic
-43m
7,819.90085
false
[CIF] data_KCa2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.64679474 _cell_length_b 5.64679474 _cell_length_c 5.64679474 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCa2W _chemical_formula_sum 'K1 Ca2 W1' _cell_volume 127.31835121 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.99644343 1.99644343 1.99644343 1 Ca Ca1 1 5.98933028 5.98933028 5.98933028 1 K K2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 3.99288685 3.99288685 3.99288685 1 [/CIF]
Ca2KW
Fm-3m
225
cubic
m-3m
3,953.082342
false
[CIF] data_MnNiMoOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22295674 _cell_length_b 4.22295674 _cell_length_c 4.22295674 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnNiMoOs _chemical_formula_sum 'Mn1 Ni1 Mo1 Os1' _cell_volume 53.25187463 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 2.98608135 2.98608135 2.98608135 1 Ni Ni2 1 1.49304068 1.49304068 1.49304068 1 Os Os3 1 4.47912203 4.47912203 4.47912203 1 [/CIF]
MnMoNiOs
F-43m
216
cubic
-43m
12,467.525956
false
[CIF] data_AlAgO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88891995 _cell_length_b 2.88891995 _cell_length_c 12.28680082 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlAgO2 _chemical_formula_sum 'Al2 Ag2 O4' _cell_volume 88.80562311 _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 1.66791871 3.07170020 1 Ag Ag1 1 1.44445998 0.83395936 9.21510062 1 Al Al2 1 0.00000000 0.00000000 0.00000000 1 Al Al3 1 0.00000000 0.00000000 6.14340041 1 O O4 1 0.00000000 1.66791871 0.95723344 1 O O5 1 0.00000000 1.66791871 5.18616697 1 O O6 1 1.44445998 0.83395936 7.10063385 1 O O7 1 1.44445998 0.83395936 11.32956738 1 [/CIF]
Ag2Al2O4
P6_3/mmc
194
hexagonal
6/mmm
6,239.664486
false
[CIF] data_GaReHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.84462222 _cell_length_b 6.84462222 _cell_length_c 6.84462222 _cell_angle_alpha 155.91831073 _cell_angle_beta 155.91831073 _cell_angle_gamma 34.31718342 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaReHg _chemical_formula_sum 'Ga1 Re1 Hg1' _cell_volume 53.33363933 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.21612726 1 Hg Hg1 1 -0.00000000 0.00000000 4.29357115 1 Re Re2 1 -0.00000000 -0.00000000 8.57026273 1 [/CIF]
GaHgRe
I4mm
107
tetragonal
4mm
14,213.717726
false
[CIF] data_BeCoAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77252774 _cell_length_b 3.77252774 _cell_length_c 3.77252774 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCoAs _chemical_formula_sum 'Be1 Co1 As1' _cell_volume 37.96490603 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.66757995 2.66757995 2.66757995 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Co Co2 1 4.00136992 4.00136992 4.00136992 1 [/CIF]
AsBeCo
F-43m
216
cubic
-43m
6,248.828759
false
[CIF] data_MgRePb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44324429 _cell_length_b 4.68407367 _cell_length_c 5.51267508 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgRePb2 _chemical_formula_sum 'Mg1 Re1 Pb2' _cell_volume 88.91068344 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 0.00000000 2.34203684 2.75633754 1 Pb Pb2 1 1.72162214 2.34203684 0.00000000 1 Re Re3 1 1.72162214 0.00000000 2.75633754 1 [/CIF]
MgPb2Re
Pmmm
47
orthorhombic
mmm
11,671.159742
false
[CIF] data_SrRh2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32191682 _cell_length_b 3.32191682 _cell_length_c 7.41507518 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrRh2Au _chemical_formula_sum 'Sr1 Rh2 Au1' _cell_volume 81.82632865 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66095841 1.66095841 5.94616147 1 Rh Rh1 1 0.00000000 0.00000000 0.20417380 1 Rh Rh2 1 1.66095841 1.66095841 1.38042977 1 Sr Sr3 1 0.00000000 0.00000000 3.59184774 1 [/CIF]
AuRh2Sr
P4mm
99
tetragonal
4mm
9,951.861888
false
[CIF] data_YMn2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40452382 _cell_length_b 5.40452382 _cell_length_c 5.40452382 _cell_angle_alpha 144.88919214 _cell_angle_beta 130.62500686 _cell_angle_gamma 62.02107366 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMn2Ni _chemical_formula_sum 'Y1 Mn2 Ni1' _cell_volume 68.17943862 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 1.63015509 0.00000000 2.02459089 1 Mn Mn1 1 -0.00000000 2.25730100 2.60747823 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 -0.00000000 0.00000000 4.63206912 1 [/CIF]
Mn2NiY
Immm
71
orthorhombic
mmm
6,270.920814
false
[CIF] data_ZnCrInFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39987988 _cell_length_b 4.39987988 _cell_length_c 4.39987988 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCrInFe _chemical_formula_sum 'Zn1 Cr1 In1 Fe1' _cell_volume 60.22925103 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.11118490 3.11118490 3.11118490 1 In In2 1 1.55559245 1.55559245 1.55559245 1 Zn Zn3 1 4.66677735 4.66677735 4.66677735 1 [/CIF]
CrFeInZn
F-43m
216
cubic
-43m
7,941.327014
false
[CIF] data_K3Hf2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.44413736 _cell_length_b 15.44413736 _cell_length_c 15.44413736 _cell_angle_alpha 166.58914059 _cell_angle_beta 166.58914059 _cell_angle_gamma 19.00962443 _symmetry_Int_Tables_number 1 _chemical_formula_structural K3Hf2 _chemical_formula_sum 'K3 Hf2' _cell_volume 198.13985406 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 23.72017999 1 Hf Hf1 1 0.00000000 -0.00000000 6.74405233 1 K K2 1 -0.00000000 0.00000000 19.01180981 1 K K3 1 0.00000000 0.00000000 0.00000000 1 K K4 1 0.00000000 -0.00000000 11.45242251 1 [/CIF]
Hf2K3
I4/mmm
139
tetragonal
4/mmm
3,974.808757
false
[CIF] data_HfMgAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07588962 _cell_length_b 3.35975951 _cell_length_c 7.37179398 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMgAg2 _chemical_formula_sum 'Hf1 Mg1 Ag2' _cell_volume 76.18195753 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53794481 1.67987975 1.76413237 1 Ag Ag1 1 1.53794481 1.67987975 5.60766161 1 Hf Hf2 1 0.00000000 0.00000000 3.68589699 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2HfMg
Pmmm
47
orthorhombic
mmm
9,122.73408
false
[CIF] data_CaNbRuRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59132436 _cell_length_b 4.59132436 _cell_length_c 4.59132436 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaNbRuRh _chemical_formula_sum 'Ca1 Nb1 Ru1 Rh1' _cell_volume 68.43825502 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.86983488 4.86983488 4.86983488 1 Rh Rh2 1 1.62327830 1.62327830 1.62327830 1 Ru Ru3 1 3.24655659 3.24655659 3.24655659 1 [/CIF]
CaNbRhRu
F-43m
216
cubic
-43m
8,175.764336
false
[CIF] data_Be2NbCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31545247 _cell_length_b 4.31545247 _cell_length_c 4.31545247 _cell_angle_alpha 130.46981231 _cell_angle_beta 128.58501433 _cell_angle_gamma 74.17366476 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2NbCr _chemical_formula_sum 'Be2 Nb1 Cr1' _cell_volume 46.59792626 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.80773856 -0.00000000 1.70196649 1 Be Be1 1 -0.00000000 1.87194368 1.74056720 1 Cr Cr2 1 0.00000000 0.00000000 0.00000000 1 Nb Nb3 1 0.00000000 0.00000000 3.44253369 1 [/CIF]
Be2CrNb
Immm
71
orthorhombic
mmm
5,806.169808
false
[CIF] data_TlSn2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72255958 _cell_length_b 5.72255958 _cell_length_c 6.17884206 _cell_angle_alpha 101.09045734 _cell_angle_beta 101.09045734 _cell_angle_gamma 33.95366000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlSn2Ge _chemical_formula_sum 'Tl1 Sn2 Ge1' _cell_volume 110.70363918 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.79132593 -0.00000000 4.83876778 1 Sn Sn1 1 9.60144000 -0.00000000 5.95683548 1 Sn Sn2 1 7.90247480 -0.00000000 1.26720210 1 Tl Tl3 1 4.96392850 0.00000000 3.06865390 1 [/CIF]
GeSn2Tl
Cm
8
monoclinic
m
7,716.577373
false
[CIF] data_IrPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.74189965 _cell_length_b 2.74189965 _cell_length_c 4.77362871 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.97220363 _symmetry_Int_Tables_number 1 _chemical_formula_structural IrPt _chemical_formula_sum 'Ir1 Pt1' _cell_volume 30.77116017 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 0.00000000 0.00000000 0.00000000 1 Pt Pt1 1 1.35075482 0.00000000 2.38681435 1 [/CIF]
IrPt
Cmmm
65
orthorhombic
mmm
20,900.363764
false
[CIF] data_HfZrSc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23838969 _cell_length_b 5.07992739 _cell_length_c 5.72141933 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.41336996 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZrSc2 _chemical_formula_sum 'Hf1 Zr1 Sc2' _cell_volume 94.11938677 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.40153269 2.53996369 4.03381375 1 Sc Sc1 1 0.37687292 0.00000000 0.19192471 1 Sc Sc2 1 2.02825056 2.53996369 1.21857900 1 Zr Zr3 1 1.98901170 0.00000000 3.13758818 1 [/CIF]
HfSc2Zr
Pm
6
monoclinic
m
6,344.842977
false
[CIF] data_NaZnHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64754924 _cell_length_b 3.64754924 _cell_length_c 7.30106840 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZnHg2 _chemical_formula_sum 'Na1 Zn1 Hg2' _cell_volume 97.13790750 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.06340475 1 Hg Hg1 1 1.82377462 1.82377462 1.79491232 1 Na Na2 1 0.00000000 0.00000000 3.71882102 1 Zn Zn3 1 1.82377462 1.82377462 5.67553290 1 [/CIF]
Hg2NaZn
P4mm
99
tetragonal
4mm
8,368.684666
false
[CIF] data_Cu2HgGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91901067 _cell_length_b 3.37422038 _cell_length_c 6.75118423 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2HgGe _chemical_formula_sum 'Cu2 Hg1 Ge1' _cell_volume 66.49501466 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.30577396 1 Cu Cu1 1 1.45950533 1.68711019 1.56832379 1 Ge Ge2 1 0.00000000 0.00000000 2.94282608 1 Hg Hg3 1 1.45950533 1.68711019 5.30985251 1 [/CIF]
Cu2GeHg
Pmm2
25
orthorhombic
mm2
9,996.994867
false
[CIF] data_La4CoBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.36047436 _cell_length_b 6.36047436 _cell_length_c 6.36047436 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La4CoBr _chemical_formula_sum 'La4 Co1 Br1' _cell_volume 181.95061191 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.74630183 6.74630183 6.74630182 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 La La2 1 5.62937576 5.62937576 3.36569334 1 La La3 1 5.62937576 3.36569334 5.62937576 1 La La4 1 3.36569334 5.62937576 5.62937576 1 La La5 1 3.36569334 3.36569334 3.36569334 1 [/CIF]
BrCoLa4
F-43m
216
cubic
-43m
6,337.854059
false
[CIF] data_Al2CoSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54100763 _cell_length_b 4.54100763 _cell_length_c 4.54100763 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2CoSn _chemical_formula_sum 'Al2 Co1 Sn1' _cell_volume 66.21276096 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.60548865 1.60548864 1.60548864 1 Al Al1 1 4.81646594 4.81646594 4.81646594 1 Co Co2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 3.21097729 3.21097729 3.21097729 1 [/CIF]
Al2CoSn
Fm-3m
225
cubic
m-3m
5,808.416044
false
[CIF] data_AgAs2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58327401 _cell_length_b 4.58327401 _cell_length_c 3.14540124 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.53366229 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgAs2Os _chemical_formula_sum 'Ag1 As2 Os1' _cell_volume 66.04988939 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 0.00000000 1 As As1 1 1.59860017 1.64197372 1.57270062 1 As As2 1 1.59860017 -1.64197372 1.57270062 1 Os Os3 1 3.19720033 -0.00000000 0.00000000 1 [/CIF]
AgAs2Os
Cmmm
65
orthorhombic
mmm
11,261.550944
false
[CIF] data_NbTlNiHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72016267 _cell_length_b 4.72016267 _cell_length_c 4.72016267 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbTlNiHg _chemical_formula_sum 'Nb1 Tl1 Ni1 Hg1' _cell_volume 74.36282825 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.00648854 5.00648855 5.00648855 1 Nb Nb1 1 1.66882951 1.66882951 1.66882951 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 3.33765903 3.33765903 3.33765903 1 [/CIF]
HgNbNiTl
F-43m
216
cubic
-43m
12,428.404951
false
[CIF] data_AlCdAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67307574 _cell_length_b 4.67307574 _cell_length_c 3.30736367 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCdAg2 _chemical_formula_sum 'Al1 Cd1 Ag2' _cell_volume 72.22500683 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 2.33653787 0.00000000 1.65368183 1 Ag Ag1 1 0.00000000 2.33653787 1.65368183 1 Al Al2 1 0.00000000 0.00000000 0.00000000 1 Cd Cd3 1 2.33653787 2.33653787 0.00000000 1 [/CIF]
Ag2AlCd
P4/mmm
123
tetragonal
4/mmm
8,164.837944
false
[CIF] data_MnAlTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24546214 _cell_length_b 4.24546214 _cell_length_c 4.24546214 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnAlTc2 _chemical_formula_sum 'Mn1 Al1 Tc2' _cell_volume 54.10780544 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.50099754 1.50099754 1.50099754 1 Tc Tc2 1 3.00199507 3.00199507 3.00199507 1 Tc Tc3 1 4.50299261 4.50299261 4.50299261 1 [/CIF]
AlMnTc2
F-43m
216
cubic
-43m
8,584.822156
false