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_SiBi2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25782322 _cell_length_b 5.95365084 _cell_length_c 4.37540682 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.26762124 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiBi2Se _chemical_formula_sum 'Si1 Bi2 Se1' _cell_volume 110.91357118 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.52821646 2.97682542 0.50049846 1 Bi Bi1 1 2.61349838 0.00000000 3.01137598 1 Se Se2 1 2.67103750 2.97682542 2.51781894 1 Si Si3 1 0.54332716 0.00000000 0.53334525 1 [/CIF]
Bi2SeSi
Pm
6
monoclinic
m
7,860.115422
false
[CIF] data_TlFe2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63306401 _cell_length_b 4.63306401 _cell_length_c 4.63306401 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlFe2Se _chemical_formula_sum 'Tl1 Fe2 Se1' _cell_volume 70.32178787 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 4.91410647 4.91410647 4.91410647 1 Se Se2 1 3.27607098 3.27607098 3.27607098 1 Tl Tl3 1 1.63803549 1.63803549 1.63803549 1 [/CIF]
Fe2SeTl
F-43m
216
cubic
-43m
9,328.093712
false
[CIF] data_SrGaPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.90536144 _cell_length_b 5.90536144 _cell_length_c 5.90536144 _cell_angle_alpha 43.99305912 _cell_angle_beta 43.99305912 _cell_angle_gamma 43.99305912 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrGaPt2 _chemical_formula_sum 'Sr1 Ga1 Pt2' _cell_volume 90.23653499 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 0.00000000 0.00000000 4.79875860 1 Pt Pt2 1 0.00000000 0.00000000 11.17471869 1 Sr Sr3 1 -0.00000000 -0.00000000 7.98673864 1 [/CIF]
GaPt2Sr
R-3m
166
trigonal
-3m
10,081.494003
false
[CIF] data_TiAgHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19804719 _cell_length_b 3.25437707 _cell_length_c 7.44096271 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.27276245 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAgHg2 _chemical_formula_sum 'Ti1 Ag1 Hg2' _cell_volume 77.42383975 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.08263959 0.00000000 3.71956344 1 Hg Hg1 1 1.44464589 1.62718854 5.62880412 1 Hg Hg2 1 1.58812213 1.62718854 1.81032276 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgHg2Ti
P2/m
10
monoclinic
2/m
11,944.37591
false
[CIF] data_CaTiNbW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78573810 _cell_length_b 4.78573810 _cell_length_c 4.78573810 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTiNbW _chemical_formula_sum 'Ca1 Ti1 Nb1 W1' _cell_volume 77.50536845 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.38402786 3.38402786 3.38402786 1 Ti Ti2 1 1.69201393 1.69201393 1.69201393 1 W W3 1 5.07604179 5.07604179 5.07604179 1 [/CIF]
CaNbTiW
F-43m
216
cubic
-43m
7,813.449518
false
[CIF] data_YFeSnIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63618263 _cell_length_b 4.63618263 _cell_length_c 4.63618263 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YFeSnIr _chemical_formula_sum 'Y1 Fe1 Sn1 Ir1' _cell_volume 70.46388920 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 3.27827618 3.27827618 3.27827618 1 Sn Sn2 1 1.63913809 1.63913809 1.63913809 1 Y Y3 1 4.91741427 4.91741427 4.91741427 1 [/CIF]
FeIrSnY
F-43m
216
cubic
-43m
10,738.420492
false
[CIF] data_GaGe2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53798184 _cell_length_b 4.53798184 _cell_length_c 3.49410526 _cell_angle_alpha 96.36357681 _cell_angle_beta 96.36357681 _cell_angle_gamma 109.49588265 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaGe2Ir _chemical_formula_sum 'Ga1 Ge2 Ir1' _cell_volume 66.56714836 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 0.97411017 1.85290522 1.71453694 1 Ge Ge2 1 0.97411017 -1.85290522 1.71453694 1 Ir Ir3 1 2.61920755 -0.00000000 0.00000000 1 [/CIF]
GaGe2Ir
C2/m
12
monoclinic
2/m
10,158.234735
false
[CIF] data_RbLi2Dy _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.70744350 _cell_length_b 5.70744350 _cell_length_c 5.70744350 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbLi2Dy _chemical_formula_sum 'Rb1 Li2 Dy1' _cell_volume 131.46491481 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Dy Dy0 1 4.03577200 4.03577200 4.03577200 1 Li Li1 1 6.05365800 6.05365800 6.05365800 1 Li Li2 1 2.01788600 2.01788600 2.01788600 1 Rb Rb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
DyLi2Rb
Fm-3m
225
cubic
m-3m
3,307.436232
false
[CIF] data_VRu4Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03980411 _cell_length_b 5.03980411 _cell_length_c 5.03980411 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VRu4Pt _chemical_formula_sum 'V1 Ru4 Pt1' _cell_volume 90.51612855 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 1.78183983 1.78183983 1.78183983 1 Ru Ru1 1 2.67551402 2.67551402 4.45184530 1 Ru Ru2 1 2.67551402 4.45184530 2.67551402 1 Ru Ru3 1 4.45184530 2.67551402 2.67551402 1 Ru Ru4 1 4.45184530 4.45184530 4.45184530 1 V V5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PtRu4V
F-43m
216
cubic
-43m
11,930.003032
false
[CIF] data_LiPtRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68787904 _cell_length_b 4.68787904 _cell_length_c 4.68787904 _cell_angle_alpha 132.12261511 _cell_angle_beta 132.12261511 _cell_angle_gamma 70.03543846 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiPtRh2 _chemical_formula_sum 'Li1 Pt1 Rh2' _cell_volume 55.56428553 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 -0.00000000 0.00000000 3.83925396 1 Rh Rh2 1 -0.00000000 1.90214864 1.91962698 1 Rh Rh3 1 1.90214864 0.00000000 1.91962698 1 [/CIF]
LiPtRh2
I4/mmm
139
tetragonal
4/mmm
12,188.181747
false
[CIF] data_Li2ScPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20416393 _cell_length_b 3.46351009 _cell_length_c 6.41103920 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.91399578 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2ScPd _chemical_formula_sum 'Li2 Sc1 Pd1' _cell_volume 71.05549958 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.01176012 1.73175505 0.29008912 1 Li Li1 1 1.53108973 0.00000000 1.65862112 1 Pd Pd2 1 3.00336888 1.73175505 3.12737454 1 Sc Sc3 1 1.37323311 0.00000000 4.52803951 1 [/CIF]
Li2PdSc
Pm
6
monoclinic
m
3,862.012378
false
[CIF] data_BaOs2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02276467 _cell_length_b 4.97158922 _cell_length_c 5.01112569 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaOs2W _chemical_formula_sum 'Ba1 Os2 W1' _cell_volume 75.30691749 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 0.00000000 2.48579461 2.50556285 1 Os Os2 1 1.51138234 2.48579461 0.00000000 1 W W3 1 1.51138234 0.00000000 2.50556285 1 [/CIF]
BaOs2W
Pmmm
47
orthorhombic
mmm
15,471.075998
false
[CIF] data_HfMn2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.78837509 _cell_length_b 3.78837509 _cell_length_c 3.43194619 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMn2B _chemical_formula_sum 'Hf1 Mn2 B1' _cell_volume 49.25455655 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.89418754 1.89418754 0.00000000 1 Mn Mn2 1 1.89418754 0.00000000 1.71597310 1 Mn Mn3 1 0.00000000 1.89418754 1.71597310 1 [/CIF]
BHfMn2
P4/mmm
123
tetragonal
4/mmm
10,086.300237
false
[CIF] data_AlZnCr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.53731110 _cell_length_b 4.14083289 _cell_length_c 5.04255917 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.76494750 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlZnCr2 _chemical_formula_sum 'Al1 Zn1 Cr2' _cell_volume 51.45847200 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Cr Cr1 1 1.01009558 2.07041645 1.14091011 1 Cr Cr2 1 0.32739257 2.07041645 3.75682691 1 Zn Zn3 1 -0.59991148 0.00000000 2.44886851 1 [/CIF]
AlCr2Zn
P2/m
10
monoclinic
2/m
6,336.236603
false
[CIF] data_LiTaAlPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79900769 _cell_length_b 4.79900769 _cell_length_c 4.79900769 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTaAlPb _chemical_formula_sum 'Li1 Ta1 Al1 Pb1' _cell_volume 78.15186376 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69670544 1.69670544 1.69670544 1 Li Li1 1 0.00000000 -0.00000000 0.00000000 1 Pb Pb2 1 5.09011632 5.09011632 5.09011632 1 Ta Ta3 1 3.39341088 3.39341088 3.39341088 1 [/CIF]
AlLiPbTa
F-43m
216
cubic
-43m
8,967.980867
false
[CIF] data_CsRbGa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.10546259 _cell_length_b 6.10546259 _cell_length_c 6.10546259 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsRbGa2 _chemical_formula_sum 'Cs1 Rb1 Ga2' _cell_volume 160.93137646 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.31721400 4.31721400 4.31721400 1 Ga Ga1 1 2.15860700 2.15860700 2.15860700 1 Ga Ga2 1 6.47582100 6.47582100 6.47582100 1 Rb Rb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CsGa2Rb
Fm-3m
225
cubic
m-3m
3,692.088265
false
[CIF] data_SrLaSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.67112419 _cell_length_b 5.67112419 _cell_length_c 5.67112419 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLaSb2 _chemical_formula_sum 'Sr1 La1 Sb2' _cell_volume 128.97112115 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.01009037 4.01009037 4.01009037 1 Sb Sb1 1 6.01513556 6.01513556 6.01513556 1 Sb Sb2 1 2.00504519 2.00504519 2.00504519 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaSb2Sr
Fm-3m
225
cubic
m-3m
6,051.9662
false
[CIF] data_Ti4Ni2O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.98233188 _cell_length_b 7.98233188 _cell_length_c 7.98233188 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti4Ni2O _chemical_formula_sum 'Ti16 Ni8 O4' _cell_volume 359.64526174 _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 Ti Ti0 1 5.64436100 7.70946618 5.64436100 1 Ti Ti1 1 5.64436100 5.64436100 7.70946618 1 Ti Ti2 1 7.70946618 5.64436100 5.64436100 1 Ti Ti3 1 5.64436100 3.57925582 5.64436100 1 Ti Ti4 1 5.64436100 5.64436100 3.57925582 1 Ti Ti5 1 3.57925582 5.64436100 5.64436100 1 Ti Ti6 1 8.46654150 6.26341476 8.46654150 1 Ti Ti7 1 8.46654150 8.46654150 6.26341476 1 Ti Ti8 1 6.26341476 8.46654150 8.46654150 1 Ti Ti9 1 8.46654150 10.66966824 8.46654150 1 Ti Ti10 1 8.46654150 8.46654150 10.66966824 1 Ti Ti11 1 10.66966824 8.46654150 8.46654150 1 Ti Ti12 1 10.34554457 10.34554457 10.34554457 1 Ti Ti13 1 10.34554457 6.58753843 6.58753843 1 Ti Ti14 1 6.58753843 6.58753843 10.34554457 1 Ti Ti15 1 6.58753843 10.34554457 6.58753843 1 Ni Ni16 1 1.43546919 1.43546919 1.43546919 1 Ni Ni17 1 1.43546919 4.20889181 4.20889181 1 Ni Ni18 1 4.20889181 4.20889181 1.43546919 1 Ni Ni19 1 4.20889181 1.43546919 4.20889181 1 Ni Ni20 1 3.81933871 3.81933871 3.81933871 1 Ni Ni21 1 3.81933871 7.46938329 7.46938329 1 Ni Ni22 1 7.46938329 7.46938329 3.81933871 1 Ni Ni23 1 7.46938329 3.81933871 7.46938329 1 O O24 1 7.06306267 7.06306267 7.06306267 1 O O25 1 7.06306267 4.22565933 4.22565933 1 O O26 1 4.22565933 4.22565933 7.06306267 1 O O27 1 4.22565933 7.06306267 4.22565933 1 [/CIF]
Ni8O4Ti16
F-43m
216
cubic
-43m
5,999.612923
false
[CIF] data_La2VBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60157185 _cell_length_b 3.60157185 _cell_length_c 8.82890262 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.85731283 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2VBi _chemical_formula_sum 'La2 V1 Bi1' _cell_volume 114.46235392 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.50508605 0.00000000 2.70924818 1 La La1 1 0.00000000 0.00000000 0.42478570 1 La La2 1 2.50508605 0.00000000 6.06394044 1 V V3 1 0.00000000 0.00000000 4.04537970 1 [/CIF]
BiLa2V
Cmm2
35
orthorhombic
mm2
7,801.048621
false
[CIF] data_NaHf2Ti _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04513435 _cell_length_b 3.04513435 _cell_length_c 10.19384750 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaHf2Ti _chemical_formula_sum 'Na1 Hf2 Ti1' _cell_volume 94.52594926 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.52256717 1.52256717 7.10064945 1 Hf Hf1 1 1.52256717 1.52256717 3.09319805 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Ti Ti3 1 0.00000000 0.00000000 5.09692375 1 [/CIF]
Hf2NaTi
P4/mmm
123
tetragonal
4/mmm
7,515.816569
false
[CIF] data_NiGeOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90291357 _cell_length_b 4.90291357 _cell_length_c 4.90291357 _cell_angle_alpha 144.63597340 _cell_angle_beta 144.63597340 _cell_angle_gamma 50.87733997 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiGeOs _chemical_formula_sum 'Ni1 Ge1 Os1' _cell_volume 39.27526651 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.79627703 1 Ni Ni1 1 0.00000000 -0.00000000 3.07568582 1 Os Os2 1 0.00000000 0.00000000 5.83825507 1 [/CIF]
GeNiOs
I4mm
107
tetragonal
4mm
13,595.543342
false
[CIF] data_NaMn2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.59521487 _cell_length_b 2.59521487 _cell_length_c 8.99030112 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMn2Pt _chemical_formula_sum 'Na1 Mn2 Pt1' _cell_volume 60.55093868 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.29760743 1.29760743 6.41993564 1 Mn Mn1 1 1.29760743 1.29760743 2.57036548 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 0.00000000 0.00000000 4.49515056 1 [/CIF]
Mn2NaPt
P4/mmm
123
tetragonal
4/mmm
8,993.643453
false
[CIF] data_CsY3Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40137885 _cell_length_b 5.40137885 _cell_length_c 5.40137885 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsY3Ir _chemical_formula_sum 'Cs1 Y3 Ir1' _cell_volume 157.58465260 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cs Cs0 1 0.00000000 0.00000000 0.00000000 1 Y Y1 1 0.00000000 2.70068943 0.00000000 1 Y Y2 1 0.00000000 0.00000000 2.70068943 1 Y Y3 1 2.70068943 0.00000000 0.00000000 1 Ir Ir4 1 2.70068943 2.70068943 2.70068943 1 [/CIF]
CsIrY3
Pm-3m
221
cubic
m-3m
6,236.479429
false
[CIF] data_FeCuPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55894476 _cell_length_b 4.55894476 _cell_length_c 4.55894476 _cell_angle_alpha 128.86006145 _cell_angle_beta 128.86006145 _cell_angle_gamma 75.23584520 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeCuPt2 _chemical_formula_sum 'Fe1 Cu1 Pt2' _cell_volume 55.92697849 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 -0.00000000 3.61113443 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 1.96769986 -0.00000000 1.80556722 1 Pt Pt3 1 -0.00000000 1.96769986 1.80556722 1 [/CIF]
CuFePt2
I4/mmm
139
tetragonal
4/mmm
15,129.417842
false
[CIF] data_YGa2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35737786 _cell_length_b 3.35737786 _cell_length_c 6.61914102 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YGa2Cu _chemical_formula_sum 'Y1 Ga2 Cu1' _cell_volume 74.61086554 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.30138853 1 Ga Ga1 1 1.67868893 1.67868893 6.47514220 1 Ga Ga2 1 0.00000000 0.00000000 1.39256050 1 Y Y3 1 1.67868893 1.67868893 3.37876138 1 [/CIF]
CuGa2Y
P4mm
99
tetragonal
4mm
6,496.477154
false
[CIF] data_TlHgBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54143394 _cell_length_b 5.54143394 _cell_length_c 5.54143394 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlHgBr2 _chemical_formula_sum 'Tl1 Hg1 Br2' _cell_volume 120.32378482 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.95919276 1.95919276 1.95919276 1 Br Br1 1 5.87757828 5.87757828 5.87757828 1 Hg Hg2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 3.91838552 3.91838552 3.91838552 1 [/CIF]
Br2HgTl
Fm-3m
225
cubic
m-3m
7,794.314433
false
[CIF] data_Y2TiOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94088001 _cell_length_b 4.94088001 _cell_length_c 3.50606304 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2TiOs _chemical_formula_sum 'Y2 Ti1 Os1' _cell_volume 85.59104604 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 2.47044000 2.47044000 0.00000000 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 0.00000000 2.47044000 1.75303152 1 Y Y3 1 2.47044000 0.00000000 1.75303152 1 [/CIF]
OsTiY2
P4/mmm
123
tetragonal
4/mmm
8,068.982472
false
[CIF] data_CuSnO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11153315 _cell_length_b 4.11153315 _cell_length_c 4.11153315 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuSnO3 _chemical_formula_sum 'Cu1 Sn1 O3' _cell_volume 69.50425436 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 O O1 1 0.00000000 2.05576657 2.05576657 1 O O2 1 2.05576657 0.00000000 2.05576657 1 O O3 1 2.05576657 2.05576657 0.00000000 1 Sn Sn4 1 2.05576657 2.05576657 2.05576657 1 [/CIF]
CuO3Sn
Pm-3m
221
cubic
m-3m
5,501.045913
false
[CIF] data_AlVSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11809618 _cell_length_b 4.32501878 _cell_length_c 7.44925489 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlVSi _chemical_formula_sum 'Al4 V4 Si4' _cell_volume 164.89567897 _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 Al Al0 1 1.24542918 1.08125469 6.83059070 1 Al Al1 1 1.31361891 3.24376408 3.10596325 1 Al Al2 1 3.87266700 3.24376408 0.61866419 1 Al Al3 1 3.80447727 1.08125469 4.34329164 1 Si Si4 1 3.80555002 1.08125469 6.83833017 1 Si Si5 1 3.87159425 3.24376408 3.11370273 1 Si Si6 1 1.31254616 3.24376408 0.61092472 1 Si Si7 1 1.24650193 1.08125469 4.33555216 1 V V8 1 2.56665732 1.08125469 1.85684709 1 V V9 1 5.11048695 3.24376408 5.58147453 1 V V10 1 2.55143886 3.24376408 5.59240780 1 V V11 1 0.00760923 1.08125469 1.86778036 1 [/CIF]
Al4Si4V4
Pnma
62
orthorhombic
mmm
4,270.125714
false
[CIF] data_MgVCrNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26687513 _cell_length_b 4.26687513 _cell_length_c 4.26687513 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgVCrNi _chemical_formula_sum 'Mg1 V1 Cr1 Ni1' _cell_volume 54.93065820 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.50856817 1.50856817 1.50856817 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 4.52570451 4.52570451 4.52570451 1 V V3 1 3.01713634 3.01713634 3.01713634 1 [/CIF]
CrMgNiV
F-43m
216
cubic
-43m
5,620.795418
false
[CIF] data_Hf2CrGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47234485 _cell_length_b 4.47234485 _cell_length_c 3.43084243 _cell_angle_alpha 90.80993384 _cell_angle_beta 90.80993384 _cell_angle_gamma 91.06487365 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2CrGe _chemical_formula_sum 'Hf2 Cr1 Ge1' _cell_volume 68.59743679 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 3.13290154 -0.00000000 0.00000000 1 Hf Hf2 1 1.53183518 1.59583806 1.71507193 1 Hf Hf3 1 1.53183518 -1.59583805 1.71507193 1 [/CIF]
CrGeHf2
C2/m
12
monoclinic
2/m
11,658.487352
false
[CIF] data_LiAl2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82800104 _cell_length_b 4.82800104 _cell_length_c 2.88686905 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.38559789 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAl2Si _chemical_formula_sum 'Li1 Al2 Si1' _cell_volume 62.65854093 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.36060280 -1.99403072 1.44343452 1 Al Al1 1 1.36060280 1.99403073 1.44343452 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Si Si3 1 2.72120560 0.00000000 0.00000000 1 [/CIF]
Al2LiSi
Cmmm
65
orthorhombic
mmm
2,358.348395
false
[CIF] data_DyB2Rh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41210195 _cell_length_b 5.41210195 _cell_length_c 3.14315925 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural DyB2Rh3 _chemical_formula_sum 'Dy1 B2 Rh3' _cell_volume 79.73132001 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 2.70605097 1.56233926 0.00000000 1 B B1 1 0.00000000 3.12467852 0.00000000 1 Dy Dy2 1 0.00000000 0.00000000 0.00000000 1 Rh Rh3 1 2.70605097 0.00000000 1.57157962 1 Rh Rh4 1 1.35302549 2.34350889 1.57157962 1 Rh Rh5 1 -1.35302549 2.34350889 1.57157962 1 [/CIF]
B2DyRh3
P6/mmm
191
hexagonal
6/mmm
10,262.850809
false
[CIF] data_Tc2TePd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85326327 _cell_length_b 4.85326327 _cell_length_c 4.96041440 _cell_angle_alpha 106.10521533 _cell_angle_beta 106.10521533 _cell_angle_gamma 37.06587053 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc2TePd _chemical_formula_sum 'Tc2 Te1 Pd1' _cell_volume 67.34084986 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Tc Tc1 1 6.67552680 0.00000000 1.04361498 1 Tc Tc2 1 1.07633818 0.00000000 3.69974492 1 Te Te3 1 3.87593249 0.00000000 2.37167995 1 [/CIF]
PdTc2Te
C2/m
12
monoclinic
2/m
10,648.433632
false
[CIF] data_NbBi2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75421325 _cell_length_b 5.25146017 _cell_length_c 5.31053585 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbBi2Sb _chemical_formula_sum 'Nb1 Bi2 Sb1' _cell_volume 104.69775252 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.87710662 0.00000000 2.65526792 1 Bi Bi1 1 0.00000000 2.62573009 2.65526792 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 Sb Sb3 1 1.87710662 2.62573009 0.00000000 1 [/CIF]
Bi2NbSb
Pmmm
47
orthorhombic
mmm
10,033.664732
false
[CIF] data_HfRu2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49446390 _cell_length_b 4.49446390 _cell_length_c 4.49446390 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfRu2W _chemical_formula_sum 'Hf1 Ru2 W1' _cell_volume 64.19758500 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 3.17806590 3.17806590 3.17806590 1 Ru Ru1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 4.76709885 4.76709885 4.76709885 1 W W3 1 1.58903295 1.58903295 1.58903295 1 [/CIF]
HfRu2W
F-43m
216
cubic
-43m
14,600.619118
false
[CIF] data_CaTiO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92109246 _cell_length_b 3.92109246 _cell_length_c 3.92109246 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTiO3 _chemical_formula_sum 'Ca1 Ti1 O3' _cell_volume 60.28666357 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 O O1 1 0.00000000 1.96054623 1.96054623 1 O O2 1 1.96054623 0.00000000 1.96054623 1 O O3 1 1.96054623 1.96054623 0.00000000 1 Ti Ti4 1 1.96054623 1.96054623 1.96054623 1 [/CIF]
CaO3Ti
Pm-3m
221
cubic
m-3m
3,744.426729
false
[CIF] data_SiNi6Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.28742287 _cell_length_b 6.28742287 _cell_length_c 10.34009134 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.94173207 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiNi6Hg _chemical_formula_sum 'Si4 Ni24 Hg4' _cell_volume 384.25190639 _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 Hg Hg0 1 3.60893601 2.48472241 5.17004567 1 Hg Hg1 1 3.60893601 -2.48472241 5.17004567 1 Hg Hg2 1 3.60893601 -0.00000000 2.57672832 1 Hg Hg3 1 3.60893601 -0.00000000 7.76336302 1 Ni Ni4 1 3.60893601 2.62990081 2.40177946 1 Ni Ni5 1 5.55288524 -1.25569938 3.75638095 1 Ni Ni6 1 1.66498678 1.25569938 3.75638095 1 Ni Ni7 1 3.60893601 -2.62990081 2.40177946 1 Ni Ni8 1 1.66498678 -1.25569938 3.75638095 1 Ni Ni9 1 5.55288524 1.25569938 3.75638095 1 Ni Ni10 1 3.60893601 -0.00000000 0.00000000 1 Ni Ni11 1 1.72906632 1.31292374 1.20669424 1 Ni Ni12 1 1.72906632 -1.31292374 1.20669424 1 Ni Ni13 1 3.60893601 2.62990081 7.93831188 1 Ni Ni14 1 5.48880570 -1.31292374 9.13339710 1 Ni Ni15 1 1.72906632 1.31292374 9.13339710 1 Ni Ni16 1 3.60893601 -2.62990081 7.93831188 1 Ni Ni17 1 1.72906632 -1.31292374 9.13339710 1 Ni Ni18 1 5.48880570 1.31292374 9.13339710 1 Ni Ni19 1 3.60893601 -0.00000000 5.17004567 1 Ni Ni20 1 1.66498678 1.25569938 6.58371039 1 Ni Ni21 1 1.66498678 -1.25569938 6.58371039 1 Ni Ni22 1 0.00000000 0.00000000 0.00000000 1 Ni Ni23 1 5.48880570 1.31292374 1.20669424 1 Ni Ni24 1 5.48880570 -1.31292374 1.20669424 1 Ni Ni25 1 0.00000000 0.00000000 5.17004567 1 Ni Ni26 1 5.55288524 1.25569938 6.58371039 1 Ni Ni27 1 5.55288524 -1.25569938 6.58371039 1 Si Si28 1 3.60893601 2.50297402 0.00000000 1 Si Si29 1 3.60893601 -2.50297402 0.00000000 1 Si Si30 1 0.00000000 0.00000000 2.52833080 1 Si Si31 1 0.00000000 0.00000000 7.81176054 1 [/CIF]
Hg4Ni24Si4
Cmmm
65
orthorhombic
mmm
10,040.295829
false
[CIF] data_KAg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.23541042 _cell_length_b 7.23541042 _cell_length_c 13.38014596 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KAg3 _chemical_formula_sum 'K6 Ag18' _cell_volume 606.62153645 _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 Ag Ag0 1 3.61770521 0.51473564 3.34503649 1 Ag Ag1 1 4.98078367 2.87565679 3.34503649 1 Ag Ag2 1 2.25462675 2.87565679 3.34503649 1 Ag Ag3 1 -0.00000000 5.75131359 10.03510947 1 Ag Ag4 1 -1.36307846 3.39039244 10.03510947 1 Ag Ag5 1 1.36307846 3.39039244 10.03510947 1 Ag Ag6 1 3.61770521 4.09373754 5.69187556 1 Ag Ag7 1 1.88127711 1.08615585 5.69187556 1 Ag Ag8 1 5.35413331 1.08615585 5.69187556 1 Ag Ag9 1 3.61770521 4.09373754 0.99819742 1 Ag Ag10 1 1.88127711 1.08615585 0.99819742 1 Ag Ag11 1 5.35413331 1.08615585 0.99819742 1 Ag Ag12 1 -0.00000000 2.17231169 7.68827040 1 Ag Ag13 1 1.73642810 5.17989338 7.68827040 1 Ag Ag14 1 -1.73642810 5.17989338 7.68827040 1 Ag Ag15 1 -0.00000000 2.17231169 12.38194854 1 Ag Ag16 1 1.73642810 5.17989338 12.38194854 1 Ag Ag17 1 -1.73642810 5.17989338 12.38194854 1 K K18 1 0.00000000 0.00000000 3.34503649 1 K K19 1 0.00000000 0.00000000 10.03510947 1 K K20 1 3.61770521 2.08868308 11.91642998 1 K K21 1 3.61770521 2.08868308 8.15378896 1 K K22 1 0.00000000 4.17736615 5.22635700 1 K K23 1 0.00000000 4.17736615 1.46371598 1 [/CIF]
Ag18K6
P6_3/mmc
194
hexagonal
6/mmm
5,957.081628
false
[CIF] data_Ta2FeSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24674175 _cell_length_b 5.24674175 _cell_length_c 5.24674175 _cell_angle_alpha 141.90426656 _cell_angle_beta 130.73627897 _cell_angle_gamma 63.92423503 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2FeSb _chemical_formula_sum 'Ta2 Fe1 Sb1' _cell_volume 66.67092889 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sb Sb1 1 -0.00000000 0.00000000 4.45132668 1 Ta Ta2 1 1.71231592 0.00000000 2.12261780 1 Ta Ta3 1 -0.00000000 2.18677023 2.32870888 1 [/CIF]
FeSbTa2
Immm
71
orthorhombic
mmm
13,437.219573
false
[CIF] data_KY2Ti _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38065501 _cell_length_b 3.38065501 _cell_length_c 11.46209931 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KY2Ti _chemical_formula_sum 'K1 Y2 Ti1' _cell_volume 130.99836493 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.98316713 1 Ti Ti1 1 1.69032750 1.69032750 9.12231221 1 Y Y2 1 0.00000000 0.00000000 11.14707062 1 Y Y3 1 1.69032750 1.69032750 2.40269832 1 [/CIF]
KTiY2
P4mm
99
tetragonal
4mm
3,356.320918
false
[CIF] data_YbGa4Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.93667850 _cell_length_b 7.93667850 _cell_length_c 6.57167400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 150.00135351 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbGa4Ni _chemical_formula_sum 'Yb2 Ga8 Ni2' _cell_volume 206.96924801 _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 Yb Yb0 1 2.05407300 -1.90762788 4.92875550 1 Yb Yb1 1 2.05407300 1.90762788 1.64291850 1 Ga Ga2 1 2.05407300 4.81926076 2.95511751 1 Ga Ga3 1 2.05407300 -4.81926076 3.61655649 1 Ga Ga4 1 0.00000000 0.00000000 0.00000000 1 Ga Ga5 1 0.00000000 0.00000000 3.28583700 1 Ga Ga6 1 2.05407300 -1.05112187 1.64291850 1 Ga Ga7 1 2.05407300 1.05112187 4.92875550 1 Ga Ga8 1 2.05407300 4.81926076 0.33071949 1 Ga Ga9 1 2.05407300 -4.81926076 6.24095451 1 Ni Ni10 1 2.05407300 -3.42053501 1.64291850 1 Ni Ni11 1 2.05407300 3.42053501 4.92875550 1 [/CIF]
Ga8Ni2Yb2
Cmcm
63
orthorhombic
mmm
8,193.842137
false
[CIF] data_CoHgPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86841653 _cell_length_b 2.86841653 _cell_length_c 7.74844273 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoHgPt2 _chemical_formula_sum 'Co1 Hg1 Pt2' _cell_volume 63.75274084 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 0.00000000 0.00000000 3.87422136 1 Pt Pt2 1 1.43420827 1.43420827 6.07715067 1 Pt Pt3 1 1.43420827 1.43420827 1.67129206 1 [/CIF]
CoHgPt2
P4/mmm
123
tetragonal
4/mmm
16,922.215363
false
[CIF] data_LaScRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62693396 _cell_length_b 4.62693396 _cell_length_c 4.62693396 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaScRh _chemical_formula_sum 'La1 Sc1 Rh1' _cell_volume 70.04302679 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.90760457 4.90760457 4.90760457 1 Rh Rh1 1 1.63586819 1.63586819 1.63586819 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaRhSc
F-43m
216
cubic
-43m
6,798.501327
false
[CIF] data_SrTaBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89791728 _cell_length_b 3.89791728 _cell_length_c 7.96841144 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTaBi2 _chemical_formula_sum 'Sr1 Ta1 Bi2' _cell_volume 121.07012400 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.45788910 1 Bi Bi1 1 1.94895864 1.94895864 1.77779992 1 Sr Sr2 1 0.00000000 0.00000000 4.01365601 1 Ta Ta3 1 1.94895864 1.94895864 6.67168348 1 [/CIF]
Bi2SrTa
P4mm
99
tetragonal
4mm
9,416.094209
false
[CIF] data_KBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.78367990 _cell_length_b 6.78367990 _cell_length_c 9.46104133 _cell_angle_alpha 107.79975903 _cell_angle_beta 107.79975903 _cell_angle_gamma 35.66564413 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBi _chemical_formula_sum 'K3 Bi3' _cell_volume 240.40650113 _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 Bi Bi0 1 9.49754281 -0.00000000 8.90745547 1 Bi Bi1 1 2.15111507 0.00000000 6.54778272 1 Bi Bi2 1 4.79393393 -0.00000000 1.99043556 1 K K3 1 8.21480199 -0.00000000 3.25637986 1 K K4 1 -1.46465584 0.00000000 5.16249385 1 K K5 1 6.06020253 -0.00000000 8.48200871 1 [/CIF]
Bi3K3
Cm
8
monoclinic
m
5,140.59775
false
[CIF] data_Pm2CuPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06869131 _cell_length_b 5.06869131 _cell_length_c 5.06869131 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pm2CuPd _chemical_formula_sum 'Pm2 Cu1 Pd1' _cell_volume 92.08153111 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pm Pm0 1 5.37615900 5.37615900 5.37615900 1 Pm Pm1 1 1.79205300 1.79205300 1.79205300 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 3.58410600 3.58410600 3.58410600 1 [/CIF]
CuPdPm2
Fm-3m
225
cubic
m-3m
8,294.730801
false
[CIF] data_Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75894366 _cell_length_b 2.75894366 _cell_length_c 4.41476747 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc _chemical_formula_sum Tc2 _cell_volume 29.10208667 _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 Tc Tc0 1 0.00000000 1.59287687 1.10369187 1 Tc Tc1 1 1.37947183 0.79643843 3.31107560 1 [/CIF]
Tc2
P6_3/mmc
194
hexagonal
6/mmm
11,286.998824
false
[CIF] data_SrLi2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53913607 _cell_length_b 3.53913607 _cell_length_c 7.16018492 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLi2Fe _chemical_formula_sum 'Sr1 Li2 Fe1' _cell_volume 89.68478253 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Li Li1 1 1.76956804 1.76956804 1.26002600 1 Li Li2 1 1.76956804 1.76956804 5.90015892 1 Sr Sr3 1 0.00000000 0.00000000 3.58009246 1 [/CIF]
FeLi2Sr
P4/mmm
123
tetragonal
4/mmm
2,913.324124
false
[CIF] data_Zn2CrAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70442759 _cell_length_b 4.70442759 _cell_length_c 4.79576689 _cell_angle_alpha 101.03007562 _cell_angle_beta 101.03007562 _cell_angle_gamma 37.49600238 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2CrAu _chemical_formula_sum 'Zn2 Cr1 Au1' _cell_volume 63.27452451 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.97033794 -0.00000000 2.34843034 1 Cr Cr1 1 -0.00000000 -0.00000000 0.00000000 1 Zn Zn2 1 1.51238508 -0.00000000 3.55658380 1 Zn Zn3 1 6.42829079 -0.00000000 1.14027688 1 [/CIF]
AuCrZn2
C2/m
12
monoclinic
2/m
9,965.216353
false
[CIF] data_MgZn3Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00109254 _cell_length_b 5.00109254 _cell_length_c 5.00109254 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgZn3Sn _chemical_formula_sum 'Mg1 Zn3 Sn1' _cell_volume 125.08195841 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Zn Zn1 1 0.00000000 2.50054627 0.00000000 1 Zn Zn2 1 0.00000000 0.00000000 2.50054627 1 Zn Zn3 1 2.50054627 0.00000000 0.00000000 1 Sn Sn4 1 2.50054627 2.50054627 2.50054627 1 [/CIF]
MgSnZn3
Pm-3m
221
cubic
m-3m
4,502.488883
false
[CIF] data_YZnGaSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02777657 _cell_length_b 5.02777657 _cell_length_c 5.02777657 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZnGaSn _chemical_formula_sum 'Y1 Zn1 Ga1 Sn1' _cell_volume 89.86962150 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.55517491 3.55517491 3.55517491 1 Sn Sn1 1 1.77758746 1.77758746 1.77758746 1 Y Y2 1 5.33276237 5.33276237 5.33276237 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GaSnYZn
F-43m
216
cubic
-43m
6,332.485102
false
[CIF] data_HfTc2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56212355 _cell_length_b 4.56212355 _cell_length_c 3.22380714 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTc2Br _chemical_formula_sum 'Hf1 Tc2 Br1' _cell_volume 67.09700543 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 2.28106177 2.28106177 0.00000000 1 Tc Tc2 1 2.28106177 0.00000000 1.61190357 1 Tc Tc3 1 0.00000000 2.28106177 1.61190357 1 [/CIF]
BrHfTc2
P4/mmm
123
tetragonal
4/mmm
11,290.348127
false
[CIF] data_ZnCd2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31275815 _cell_length_b 5.31275815 _cell_length_c 5.31275815 _cell_angle_alpha 131.83388919 _cell_angle_beta 131.83388919 _cell_angle_gamma 70.49150771 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCd2Ge _chemical_formula_sum 'Zn1 Cd2 Ge1' _cell_volume 81.56867834 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 2.16792665 -0.00000000 2.16942315 1 Cd Cd1 1 0.00000000 -0.00000000 4.33884630 1 Ge Ge2 1 -0.00000000 2.16792665 2.16942315 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cd2GeZn
I-4m2
119
tetragonal
-42m
7,386.57691
false
[CIF] data_MgVCrBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58231863 _cell_length_b 4.58231863 _cell_length_c 4.58231863 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgVCrBi _chemical_formula_sum 'Mg1 V1 Cr1 Bi1' _cell_volume 68.03632652 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.86028287 4.86028287 4.86028287 1 Cr Cr1 1 1.62009429 1.62009429 1.62009429 1 Mg Mg2 1 -0.00000000 -0.00000000 0.00000000 1 V V3 1 3.24018858 3.24018858 3.24018858 1 [/CIF]
BiCrMgV
F-43m
216
cubic
-43m
8,206.078358
false
[CIF] data_CuMo3Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60511325 _cell_length_b 4.60511325 _cell_length_c 4.60511325 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuMo3Cl _chemical_formula_sum 'Cu1 Mo3 Cl1' _cell_volume 97.66095005 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.30255662 0.00000000 2.30255662 1 Mo Mo1 1 2.30255662 2.30255662 0.00000000 1 Mo Mo2 1 0.00000000 2.30255662 2.30255662 1 Cu Cu3 1 2.30255662 2.30255662 2.30255662 1 Cl Cl4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
ClCuMo3
Pm-3m
221
cubic
m-3m
6,578.142986
false
[CIF] data_VRh2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09144232 _cell_length_b 3.09144232 _cell_length_c 6.86187319 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VRh2Br _chemical_formula_sum 'V1 Rh2 Br1' _cell_volume 65.57902924 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.43093659 1 Rh Rh1 1 1.54572116 1.54572116 5.49794751 1 Rh Rh2 1 1.54572116 1.54572116 1.36392568 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrRh2V
P4/mmm
123
tetragonal
4/mmm
8,524.543238
false
[CIF] data_Y4VAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.11855247 _cell_length_b 6.11855247 _cell_length_c 6.11855247 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y4VAs _chemical_formula_sum 'Y4 V1 As1' _cell_volume 161.96868921 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.48970491 6.48970491 6.48970491 1 V V1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 5.42491849 5.42491849 3.22802139 1 Y Y3 1 5.42491849 3.22802139 5.42491849 1 Y Y4 1 3.22802139 5.42491849 5.42491849 1 Y Y5 1 3.22802139 3.22802139 3.22802139 1 [/CIF]
AsVY4
F-43m
216
cubic
-43m
4,936.306809
false
[CIF] data_VTc2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.98198749 _cell_length_b 2.98198749 _cell_length_c 6.36863417 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VTc2Ru _chemical_formula_sum 'V1 Tc2 Ru1' _cell_volume 56.63148332 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 3.18431708 1 Tc Tc1 1 1.49099374 1.49099374 4.89944848 1 Tc Tc2 1 1.49099374 1.49099374 1.46918569 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
RuTc2V
P4/mmm
123
tetragonal
4/mmm
10,257.479027
false
[CIF] data_MnCrSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30610153 _cell_length_b 3.30610153 _cell_length_c 7.43677867 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCrSb2 _chemical_formula_sum 'Mn1 Cr1 Sb2' _cell_volume 81.28627638 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 3.71838934 1 Sb Sb2 1 1.65305076 1.65305076 5.56398875 1 Sb Sb3 1 1.65305076 1.65305076 1.87278992 1 [/CIF]
CrMnSb2
P4/mmm
123
tetragonal
4/mmm
7,159.17649
false
[CIF] data_ZnCo2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.71341142 _cell_length_b 2.71341142 _cell_length_c 7.33467134 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCo2Au _chemical_formula_sum 'Zn1 Co2 Au1' _cell_volume 54.00226256 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.66733567 1 Co Co1 1 1.35670571 1.35670571 5.62561070 1 Co Co2 1 1.35670571 1.35670571 1.70906064 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuCo2Zn
P4/mmm
123
tetragonal
4/mmm
11,692.649087
false
[CIF] data_KScZnPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34967125 _cell_length_b 5.34967125 _cell_length_c 5.34967125 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KScZnPb _chemical_formula_sum 'K1 Sc1 Zn1 Pb1' _cell_volume 108.25956709 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 5.67418323 5.67418323 5.67418323 1 Sc Sc2 1 1.89139441 1.89139441 1.89139441 1 Zn Zn3 1 3.78278882 3.78278882 3.78278882 1 [/CIF]
KPbScZn
F-43m
216
cubic
-43m
5,470.232862
false
[CIF] data_NaLaMnTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73496950 _cell_length_b 4.73496950 _cell_length_c 4.73496950 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLaMnTc _chemical_formula_sum 'Na1 La1 Mn1 Tc1' _cell_volume 75.06483926 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 3.34812904 3.34812904 3.34812904 1 Mn Mn1 1 5.02219356 5.02219356 5.02219356 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 1.67406452 1.67406452 1.67406452 1 [/CIF]
LaMnNaTc
F-43m
216
cubic
-43m
6,984.598298
false
[CIF] data_NaBiB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.95852640 _cell_length_b 6.60047121 _cell_length_c 3.51530091 _cell_angle_alpha 80.69599673 _cell_angle_beta 69.40101130 _cell_angle_gamma 29.90299197 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaBiB _chemical_formula_sum 'Na1 Bi1 B1' _cell_volume 71.70406179 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.93681066 2.93361636 0.14766884 1 Bi Bi1 1 1.93681066 2.93361636 7.88772786 1 Na Na2 1 1.93681066 2.93361636 4.58442654 1 [/CIF]
BBiNa
Fmm2
42
orthorhombic
mm2
5,622.381859
false
[CIF] data_Te2RhCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32283387 _cell_length_b 3.32283387 _cell_length_c 7.97064879 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.36525297 _symmetry_Int_Tables_number 1 _chemical_formula_structural Te2RhCl _chemical_formula_sum 'Te2 Rh1 Cl1' _cell_volume 87.98074352 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 0.00000000 0.00000000 3.98532439 1 Te Te2 1 2.32143897 0.00000000 5.61823367 1 Te Te3 1 2.32143897 0.00000000 2.35241512 1 [/CIF]
ClRhTe2
Cmmm
65
orthorhombic
mmm
7,427.980693
false
[CIF] data_LiU2V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70084588 _cell_length_b 4.70084588 _cell_length_c 4.70084588 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiU2V _chemical_formula_sum 'Li1 U2 V1' _cell_volume 73.45359245 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 U U1 1 4.98600000 4.98600000 4.98600000 1 U U2 1 1.66200000 1.66200000 1.66200000 1 V V3 1 3.32400000 3.32400000 3.32400000 1 [/CIF]
LiU2V
Fm-3m
225
cubic
m-3m
12,070.597653
false
[CIF] data_ReNiSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07922159 _cell_length_b 5.07922159 _cell_length_c 5.07922159 _cell_angle_alpha 145.32470074 _cell_angle_beta 145.32470074 _cell_angle_gamma 49.85090938 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReNiSe _chemical_formula_sum 'Re1 Ni1 Se1' _cell_volume 42.21133993 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.02018912 1 Re Re1 1 -0.00000000 0.00000000 3.02895024 1 Se Se2 1 -0.00000000 0.00000000 6.16311474 1 [/CIF]
NiReSe
I4mm
107
tetragonal
4mm
12,740.245801
false
[CIF] data_AgHgGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62870781 _cell_length_b 4.62870781 _cell_length_c 4.62870781 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgHgGe _chemical_formula_sum 'Ag1 Hg1 Ge1' _cell_volume 70.12361579 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.27299068 3.27299068 3.27299068 1 Ge Ge1 1 0.00000000 0.00000000 0.00000000 1 Hg Hg2 1 4.90948602 4.90948602 4.90948602 1 [/CIF]
AgGeHg
F-43m
216
cubic
-43m
9,024.469748
false
[CIF] data_Sr2NiP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66062242 _cell_length_b 3.66062242 _cell_length_c 7.37793015 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2NiP _chemical_formula_sum 'Sr2 Ni1 P1' _cell_volume 98.86541867 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.68896508 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 1.83031121 1.83031121 1.77752251 1 Sr Sr3 1 1.83031121 1.83031121 5.60040764 1 [/CIF]
NiPSr2
P4/mmm
123
tetragonal
4/mmm
4,449.368621
false
[CIF] data_CuTe2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38546648 _cell_length_b 3.38546648 _cell_length_c 6.81983210 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuTe2Rh _chemical_formula_sum 'Cu1 Te2 Rh1' _cell_volume 78.16470965 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 0.00000000 0.00000000 3.40991605 1 Te Te2 1 1.69273324 1.69273324 5.08290093 1 Te Te3 1 1.69273324 1.69273324 1.73693117 1 [/CIF]
CuRhTe2
P4/mmm
123
tetragonal
4/mmm
8,957.607485
false
[CIF] data_YScPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.70790983 _cell_length_b 6.70790983 _cell_length_c 6.70790983 _cell_angle_alpha 35.02920167 _cell_angle_beta 35.02920167 _cell_angle_gamma 35.02920167 _symmetry_Int_Tables_number 1 _chemical_formula_structural YScPd2 _chemical_formula_sum 'Y1 Sc1 Pd2' _cell_volume 88.79555719 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 13.95689718 1 Pd Pd1 1 0.00000000 0.00000000 4.91267807 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 0.00000000 0.00000000 9.43478763 1 [/CIF]
Pd2ScY
R-3m
166
trigonal
-3m
6,483.565602
false
[CIF] data_MgRuSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24099051 _cell_length_b 3.24099051 _cell_length_c 6.62519761 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgRuSe2 _chemical_formula_sum 'Mg1 Ru1 Se2' _cell_volume 69.59120479 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 0.00000000 0.00000000 3.31259880 1 Se Se2 1 1.62049526 1.62049526 4.82954990 1 Se Se3 1 1.62049526 1.62049526 1.79564771 1 [/CIF]
MgRuSe2
P4/mmm
123
tetragonal
4/mmm
6,759.796964
false
[CIF] data_B2TeRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97480106 _cell_length_b 2.97480106 _cell_length_c 5.94497253 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B2TeRu _chemical_formula_sum 'B2 Te1 Ru1' _cell_volume 52.60968571 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.48740053 1.48740053 5.04586600 1 B B1 1 1.48740053 1.48740053 0.89910653 1 Ru Ru2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 0.00000000 0.00000000 2.97248627 1 [/CIF]
B2RuTe
P4/mmm
123
tetragonal
4/mmm
7,900.059437
false
[CIF] data_CaRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.49702700 _cell_length_b 3.49702700 _cell_length_c 3.49702700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaRe _chemical_formula_sum 'Ca1 Re1' _cell_volume 42.76583503 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 1.74851350 1.74851350 1.74851350 1 [/CIF]
CaRe
Pm-3m
221
cubic
m-3m
8,786.338029
false
[CIF] data_SrMnRhW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58240640 _cell_length_b 4.58240640 _cell_length_c 4.58240640 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMnRhW _chemical_formula_sum 'Sr1 Mn1 Rh1 W1' _cell_volume 68.04023593 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 4.86037596 4.86037596 4.86037596 1 Sr Sr2 1 3.24025064 3.24025064 3.24025064 1 W W3 1 1.62012532 1.62012532 1.62012532 1 [/CIF]
MnRhSrW
F-43m
216
cubic
-43m
10,477.260964
false
[CIF] data_Cu2SnGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04326557 _cell_length_b 3.04326557 _cell_length_c 7.50908951 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2SnGe _chemical_formula_sum 'Cu2 Sn1 Ge1' _cell_volume 69.54517203 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.37609508 1 Cu Cu1 1 1.52163278 1.52163278 1.71431545 1 Ge Ge2 1 0.00000000 0.00000000 3.19878270 1 Sn Sn3 1 1.52163278 1.52163278 5.97444104 1 [/CIF]
Cu2GeSn
P4mm
99
tetragonal
4mm
7,603.606954
false
[CIF] data_CuMoRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.77457680 _cell_length_b 2.77457680 _cell_length_c 7.32995482 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuMoRu2 _chemical_formula_sum 'Cu1 Mo1 Ru2' _cell_volume 56.42801834 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 0.00000000 0.00000000 3.66497741 1 Ru Ru2 1 1.38728840 1.38728840 5.54797661 1 Ru Ru3 1 1.38728840 1.38728840 1.78197821 1 [/CIF]
CuMoRu2
P4/mmm
123
tetragonal
4/mmm
10,642.36046
false
[CIF] data_Sn2RuPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02502674 _cell_length_b 5.02502674 _cell_length_c 3.62242172 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn2RuPb _chemical_formula_sum 'Sn2 Ru1 Pb1' _cell_volume 91.46938592 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.51251337 2.51251337 0.00000000 1 Ru Ru1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 0.00000000 2.51251337 1.81121086 1 Sn Sn3 1 2.51251337 0.00000000 1.81121086 1 [/CIF]
PbRuSn2
P4/mmm
123
tetragonal
4/mmm
9,906.479136
false
[CIF] data_SiNiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39392091 _cell_length_b 4.39392091 _cell_length_c 4.39392091 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiNiPb _chemical_formula_sum 'Si1 Ni1 Pb1' _cell_volume 59.98486804 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.66045691 4.66045691 4.66045691 1 Pb Pb1 1 1.55348564 1.55348564 1.55348563 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NiPbSi
F-43m
216
cubic
-43m
8,138.109896
false
[CIF] data_BaCuTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45493175 _cell_length_b 5.45493175 _cell_length_c 5.45493175 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCuTe _chemical_formula_sum 'Ba1 Cu1 Te1' _cell_volume 114.77649688 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.85721923 3.85721923 3.85721923 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 1.92860962 1.92860962 1.92860962 1 [/CIF]
BaCuTe
F-43m
216
cubic
-43m
4,752.212026
false
[CIF] data_KHfPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56856933 _cell_length_b 3.56856933 _cell_length_c 8.12347907 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KHfPt2 _chemical_formula_sum 'K1 Hf1 Pt2' _cell_volume 103.44996382 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.78428466 1.78428466 3.04817663 1 K K1 1 0.00000000 0.00000000 6.45652817 1 Pt Pt2 1 1.78428466 1.78428466 0.56886888 1 Pt Pt3 1 0.00000000 0.00000000 2.11164501 1 [/CIF]
HfKPt2
P4mm
99
tetragonal
4mm
9,755.470586
false
[CIF] data_ZrPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17727786 _cell_length_b 4.17727786 _cell_length_c 7.20172233 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrPb _chemical_formula_sum 'Zr2 Pb2' _cell_volume 108.83127879 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 2.08863893 1.20587625 5.40129175 1 Pb Pb1 1 -0.00000000 2.41175250 1.80043058 1 Zr Zr2 1 0.00000000 0.00000000 3.60086117 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pb2Zr2
P6_3/mmc
194
hexagonal
6/mmm
9,106.659705
false
[CIF] data_VRhW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34632132 _cell_length_b 4.34632132 _cell_length_c 2.69429593 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VRhW _chemical_formula_sum 'V1 Rh1 W1' _cell_volume 44.07776731 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rh Rh0 1 -0.00000002 2.50934980 0.02487304 1 V V1 1 0.00000000 0.00000000 0.95854088 1 W W2 1 2.17316064 1.25467491 1.71088201 1 [/CIF]
RhVW
P3m1
156
trigonal
3m
12,721.661971
false
[CIF] data_CuHg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37810485 _cell_length_b 4.37810485 _cell_length_c 4.37810485 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuHg3 _chemical_formula_sum 'Cu1 Hg3' _cell_volume 83.91864707 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 2.18905242 2.18905242 0.00000000 1 Hg Hg2 1 2.18905242 0.00000000 2.18905242 1 Hg Hg3 1 0.00000000 2.18905242 2.18905242 1 [/CIF]
CuHg3
Pm-3m
221
cubic
m-3m
13,164.931136
false
[CIF] data_TlCoCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.65182520 _cell_length_b 11.65182520 _cell_length_c 5.72260300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlCoCl3 _chemical_formula_sum 'Tl6 Co6 Cl18' _cell_volume 672.84057191 _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 Cl Cl0 1 4.87959955 1.73482992 1.67515172 1 Cl Cl1 1 4.88851961 4.99750449 1.67515172 1 Cl Cl2 1 7.70961864 3.35844220 1.67515172 1 Cl Cl3 1 -1.88089025 6.71966799 4.41407326 1 Cl Cl4 1 0.94695454 5.10204388 4.41407326 1 Cl Cl5 1 0.93393571 8.35984137 4.41407326 1 Cl Cl6 1 6.77286714 4.98873273 4.41407326 1 Cl Cl7 1 3.94502234 3.37110863 4.41407326 1 Cl Cl8 1 1.88370604 6.73233442 1.67515172 1 Cl Cl9 1 -0.93739299 5.09327213 1.67515172 1 Cl Cl10 1 6.75984831 1.73093525 4.41407326 1 Cl Cl11 1 -0.94631305 8.35594670 1.67515172 1 Cl Cl12 1 -4.85911281 8.41623027 4.10071990 1 Cl Cl13 1 0.96679979 1.67454635 4.10071990 1 Cl Cl14 1 4.85148815 8.40302398 1.24034760 1 Cl Cl15 1 -0.97442444 1.68775264 1.24034760 1 Cl Cl16 1 9.71822562 0.00000000 4.10071990 1 Cl Cl17 1 1.94884889 0.00000000 1.24034760 1 Co Co18 1 5.82591260 3.36359221 0.16882035 1 Co Co19 1 0.00000000 6.72718441 3.03617467 1 Co Co20 1 5.82591260 3.36359221 3.03617467 1 Co Co21 1 0.00000000 6.72718441 0.16882035 1 Co Co22 1 0.00000000 0.00000000 2.66008902 1 Co Co23 1 0.00000000 0.00000000 5.57242500 1 Tl Tl24 1 -1.93654651 3.35419695 4.33742605 1 Tl Tl25 1 3.88936608 6.73657967 4.33742605 1 Tl Tl26 1 1.93645616 3.35404045 1.47893509 1 Tl Tl27 1 -3.88945644 6.73673617 1.47893509 1 Tl Tl28 1 3.87309303 0.00000000 4.33742605 1 Tl Tl29 1 7.77891288 0.00000000 1.47893509 1 [/CIF]
Cl18Co6Tl6
P31m
157
trigonal
3m
5,474.471713
false
[CIF] data_Ta2NiSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03702926 _cell_length_b 3.03702926 _cell_length_c 7.65044888 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 100.71795447 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2NiSb _chemical_formula_sum 'Ta2 Ni1 Sb1' _cell_volume 69.33324834 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sb Sb1 1 0.00000000 0.00000000 3.82522444 1 Ta Ta2 1 1.93755026 0.00000000 5.99360739 1 Ta Ta3 1 1.93755026 0.00000000 1.65684149 1 [/CIF]
NiSbTa2
Cmmm
65
orthorhombic
mmm
12,989.323152
false
[CIF] data_SrMgVRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76508252 _cell_length_b 4.76508252 _cell_length_c 4.76508252 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMgVRe _chemical_formula_sum 'Sr1 Mg1 V1 Re1' _cell_volume 76.50613792 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 1.68471108 1.68471108 1.68471108 1 Sr Sr2 1 5.05413324 5.05413324 5.05413324 1 V V3 1 3.36942216 3.36942216 3.36942216 1 [/CIF]
MgReSrV
F-43m
216
cubic
-43m
7,576.51869
false
[CIF] data_SnMoP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56053584 _cell_length_b 4.56053584 _cell_length_c 3.27442568 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 103.39671162 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnMoP2 _chemical_formula_sum 'Sn1 Mo1 P2' _cell_volume 66.24995898 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 0.00000000 0.00000000 0.00000000 1 P P1 1 1.41331360 1.78945982 1.63721284 1 P P2 1 1.41331359 -1.78945983 1.63721284 1 Sn Sn3 1 2.82662719 -0.00000000 0.00000000 1 [/CIF]
MoP2Sn
Cmmm
65
orthorhombic
mmm
6,933.350785
false
[CIF] data_InSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47541360 _cell_length_b 5.47541360 _cell_length_c 3.28416141 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InSb2 _chemical_formula_sum 'In1 Sb2' _cell_volume 85.26857120 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 0.00000000 0.00000000 0.00000000 1 Sb Sb1 1 2.73770680 1.58061576 1.64208070 1 Sb Sb2 1 0.00000000 3.16123151 1.64208070 1 [/CIF]
InSb2
P6/mmm
191
hexagonal
6/mmm
6,978.353686
false
[CIF] data_NaBiP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.24293775 _cell_length_b 6.24293775 _cell_length_c 6.24293775 _cell_angle_alpha 145.16782635 _cell_angle_beta 145.16782635 _cell_angle_gamma 50.08449548 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaBiP _chemical_formula_sum 'Na1 Bi1 P1' _cell_volume 78.99360421 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 -0.00000000 0.00000000 0.46499428 1 Na Na1 1 0.00000000 -0.00000000 3.62037785 1 P P2 1 -0.00000000 0.00000000 7.22678011 1 [/CIF]
BiNaP
I4mm
107
tetragonal
4mm
5,527.394158
false
[CIF] data_Ca2CdCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.74341479 _cell_length_b 5.74341479 _cell_length_c 5.74341479 _cell_angle_alpha 133.75560921 _cell_angle_beta 133.75560921 _cell_angle_gamma 67.46997391 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2CdCu _chemical_formula_sum 'Ca2 Cd1 Cu1' _cell_volume 97.18520646 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.25540114 2.38815540 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Cd Cd2 1 2.25540114 0.00000000 2.38815540 1 Cu Cu3 1 0.00000000 0.00000000 4.77631080 1 [/CIF]
Ca2CdCu
I-4m2
119
tetragonal
-42m
4,376.032705
false
[CIF] data_MgTl2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86845277 _cell_length_b 4.86845277 _cell_length_c 4.86845277 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTl2Rh _chemical_formula_sum 'Mg1 Tl2 Rh1' _cell_volume 81.59393658 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 3.44251597 3.44251597 3.44251597 1 Tl Tl2 1 1.72125799 1.72125799 1.72125799 1 Tl Tl3 1 5.16377396 5.16377396 5.16377396 1 [/CIF]
MgRhTl2
Fm-3m
225
cubic
m-3m
10,907.807009
false
[CIF] data_Mn2CdGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99665043 _cell_length_b 4.99665043 _cell_length_c 4.82936667 _cell_angle_alpha 103.69352304 _cell_angle_beta 103.69352304 _cell_angle_gamma 33.82815841 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2CdGa _chemical_formula_sum 'Mn2 Cd1 Ga1' _cell_volume 65.03599061 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.19987713 0.00000000 2.31106550 1 Ga Ga1 1 1.53957824 -0.00000000 3.64442651 1 Mn Mn2 1 8.35946935 0.00000000 4.67392505 1 Mn Mn3 1 6.81625909 0.00000000 1.06858080 1 [/CIF]
CdGaMn2
Cm
8
monoclinic
m
7,455.78191
false
[CIF] data_MnZnBiOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60538012 _cell_length_b 4.60538012 _cell_length_c 4.60538012 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnZnBiOs _chemical_formula_sum 'Mn1 Zn1 Bi1 Os1' _cell_volume 69.06872623 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.88474327 4.88474327 4.88474327 1 Mn Mn1 1 0.00000000 -0.00000000 0.00000000 1 Os Os2 1 1.62824775 1.62824775 1.62824776 1 Zn Zn3 1 3.25649551 3.25649551 3.25649551 1 [/CIF]
BiMnOsZn
F-43m
216
cubic
-43m
12,490.418257
false
[CIF] data_NbCd2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.96203971 _cell_length_b 2.96203971 _cell_length_c 9.54897871 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 93.79340237 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCd2Hg _chemical_formula_sum 'Nb1 Cd2 Hg1' _cell_volume 83.59612292 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 2.02400857 0.00000000 2.21963881 1 Cd Cd1 1 2.02400857 0.00000000 7.32933990 1 Hg Hg2 1 0.00000000 0.00000000 4.77448935 1 Nb Nb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cd2HgNb
Cmmm
65
orthorhombic
mmm
10,295.787518
false
[CIF] data_SrMgTiTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33827454 _cell_length_b 5.33827454 _cell_length_c 5.33827454 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMgTiTl _chemical_formula_sum 'Sr1 Mg1 Ti1 Tl1' _cell_volume 107.56914550 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sr Sr1 1 3.77473013 3.77473013 3.77473013 1 Ti Ti2 1 1.88736507 1.88736507 1.88736507 1 Tl Tl3 1 5.66209520 5.66209519 5.66209520 1 [/CIF]
MgSrTiTl
F-43m
216
cubic
-43m
5,621.75436
false
[CIF] data_ScPb4Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.41124378 _cell_length_b 6.41124378 _cell_length_c 6.41124378 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScPb4Br _chemical_formula_sum 'Sc1 Pb4 Br1' _cell_volume 186.34248106 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.26671698 2.26671697 2.26671698 1 Pb Pb1 1 3.39341089 3.39341089 5.67345701 1 Pb Pb2 1 3.39341089 5.67345701 3.39341089 1 Pb Pb3 1 5.67345701 3.39341089 3.39341089 1 Pb Pb4 1 5.67345701 5.67345701 5.67345701 1 Sc Sc5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrPb4Sc
F-43m
216
cubic
-43m
8,498.27442
false
[CIF] data_ScV2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17002152 _cell_length_b 3.17002152 _cell_length_c 6.12881444 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScV2Si _chemical_formula_sum 'Sc1 V2 Si1' _cell_volume 61.58867943 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.58501076 1.58501076 3.05710743 1 Si Si1 1 0.00000000 0.00000000 4.84488518 1 V V2 1 1.58501076 1.58501076 0.02862959 1 V V3 1 0.00000000 0.00000000 1.26259945 1 [/CIF]
ScSiV2
P4mm
99
tetragonal
4mm
4,716.298391
false
[CIF] data_KHf2V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05027711 _cell_length_b 3.05027711 _cell_length_c 11.23650226 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.85451349 _symmetry_Int_Tables_number 1 _chemical_formula_structural KHf2V _chemical_formula_sum 'K1 Hf2 V1' _cell_volume 96.33902869 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.21064228 1 Hf Hf1 1 1.68678875 0.00000000 8.89256879 1 K K2 1 0.00000000 0.00000000 5.44749349 1 V V3 1 1.68678875 0.00000000 2.30404883 1 [/CIF]
Hf2KV
Cmm2
35
orthorhombic
mm2
7,705.016871
false
[CIF] data_Be2RuPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02095467 _cell_length_b 3.39484449 _cell_length_c 6.02732399 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.20174181 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2RuPb _chemical_formula_sum 'Be2 Ru1 Pb1' _cell_volume 61.81387056 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.35545985 1.69742225 5.73588998 1 Be Be1 1 2.34611184 0.00000000 0.99688922 1 Pb Pb2 1 1.94763753 1.69742225 3.07095612 1 Ru Ru3 1 0.85012116 0.00000000 5.26448131 1 [/CIF]
Be2PbRu
Pm
6
monoclinic
m
8,765.420022
false