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_Be2CoBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05890506 _cell_length_b 3.05890506 _cell_length_c 6.25598077 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2CoBi _chemical_formula_sum 'Be2 Co1 Bi1' _cell_volume 58.53658751 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.52945253 1.52945253 6.12457965 1 Be Be1 1 0.00000000 0.00000000 1.03530620 1 Bi Bi2 1 1.52945253 1.52945253 3.22864811 1 Co Co3 1 0.00000000 0.00000000 5.25141796 1 [/CIF]
Be2BiCo
P4mm
99
tetragonal
4mm
8,111.356876
false
[CIF] data_ReAg2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.74845267 _cell_length_b 4.93602115 _cell_length_c 5.09750037 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.68557796 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReAg2As _chemical_formula_sum 'Re1 Ag2 As1' _cell_volume 68.16909014 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.19734972 2.46801058 3.78613546 1 Ag Ag1 1 0.69349306 2.46801058 1.23870437 1 As As2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 -0.42880494 0.00000000 2.51241991 1 [/CIF]
Ag2AsRe
P2/m
10
monoclinic
2/m
11,616.011896
false
[CIF] data_YInBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91857191 _cell_length_b 3.91857191 _cell_length_c 7.36118549 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YInBr2 _chemical_formula_sum 'Y1 In1 Br2' _cell_volume 113.03251823 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.95928596 1.95928596 6.96829237 1 Br Br1 1 0.00000000 0.00000000 1.59737490 1 In In2 1 1.95928596 1.95928596 3.81483346 1 Y Y3 1 0.00000000 0.00000000 6.02246300 1 [/CIF]
Br2InY
P4mm
99
tetragonal
4mm
5,340.57675
false
[CIF] data_SnAsRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07848007 _cell_length_b 3.07848007 _cell_length_c 6.67164940 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnAsRu2 _chemical_formula_sum 'Sn1 As1 Ru2' _cell_volume 63.22748517 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 1.53924004 1.53924004 1.48114406 1 Ru Ru2 1 1.53924004 1.53924004 5.19050534 1 Sn Sn3 1 0.00000000 0.00000000 3.33582470 1 [/CIF]
AsRu2Sn
P4/mmm
123
tetragonal
4/mmm
10,394.134084
false
[CIF] data_SrTa2Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.29476733 _cell_length_b 6.29476733 _cell_length_c 5.26220447 _cell_angle_alpha 108.10436077 _cell_angle_beta 108.10436077 _cell_angle_gamma 27.85420201 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTa2Cd _chemical_formula_sum 'Sr1 Ta2 Cd1' _cell_volume 92.29285363 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.26734313 -0.00000000 2.49260964 1 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 1.53731584 -0.00000000 3.59605652 1 Ta Ta3 1 8.99737043 -0.00000000 1.38916276 1 [/CIF]
CdSrTa2
C2/m
12
monoclinic
2/m
10,110.223065
false
[CIF] data_Ti2BRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18973725 _cell_length_b 4.18973725 _cell_length_c 4.18973725 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2BRh _chemical_formula_sum 'Ti2 B1 Rh1' _cell_volume 52.00503175 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 4.44388743 4.44388743 4.44388743 1 Ti Ti2 1 2.96259162 2.96259162 2.96259162 1 Ti Ti3 1 1.48129581 1.48129581 1.48129581 1 [/CIF]
BRhTi2
F-43m
216
cubic
-43m
6,687.828583
false
[CIF] data_NaScW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56357210 _cell_length_b 4.56357210 _cell_length_c 4.56357210 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaScW _chemical_formula_sum 'Na1 Sc1 W1' _cell_volume 67.20471627 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sc Sc1 1 4.84039917 4.84039917 4.84039917 1 W W2 1 1.61346639 1.61346639 1.61346639 1 [/CIF]
NaScW
F-43m
216
cubic
-43m
6,221.288972
false
[CIF] data_Mn2AlV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11317757 _cell_length_b 4.11317757 _cell_length_c 4.11317757 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2AlV _chemical_formula_sum 'Mn2 Al1 V1' _cell_volume 49.20592257 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 V V1 1 2.90845575 2.90845575 2.90845575 1 Mn Mn2 1 1.45422788 1.45422788 1.45422788 1 Mn Mn3 1 4.36268363 4.36268363 4.36268363 1 [/CIF]
AlMn2V
Fm-3m
225
cubic
m-3m
6,337.606805
false
[CIF] data_Nb2PtSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.66560670 _cell_length_b 8.66560670 _cell_length_c 8.66560670 _cell_angle_alpha 21.62500845 _cell_angle_beta 21.62500845 _cell_angle_gamma 21.62500845 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2PtSe _chemical_formula_sum 'Nb2 Pt1 Se1' _cell_volume 77.44569111 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 0.00000000 0.06108761 1 Nb Nb1 1 -0.00000000 0.00000000 6.29994422 1 Pt Pt2 1 0.00000000 -0.00000000 12.92017049 1 Se Se3 1 0.00000000 -0.00000000 18.78815240 1 [/CIF]
Nb2PtSe
R3m
160
trigonal
3m
9,859.943196
false
[CIF] data_ScTa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31755213 _cell_length_b 5.31755213 _cell_length_c 5.31755213 _cell_angle_alpha 33.15412887 _cell_angle_beta 33.15412887 _cell_angle_gamma 33.15412887 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTa _chemical_formula_sum 'Sc1 Ta1' _cell_volume 40.03103084 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sc Sc0 1 0.00000000 0.00000000 0.00000000 1 Ta Ta1 1 -0.00000000 -0.00000000 7.53105750 1 [/CIF]
ScTa
R-3m
166
trigonal
-3m
9,370.783212
false
[CIF] data_TaNiBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.90734526 _cell_length_b 8.90734526 _cell_length_c 8.90734526 _cell_angle_alpha 21.67097057 _cell_angle_beta 21.67097057 _cell_angle_gamma 21.67097057 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNiBi2 _chemical_formula_sum 'Ta1 Ni1 Bi2' _cell_volume 84.45442423 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.74464832 1 Bi Bi1 1 0.00000000 -0.00000000 19.34021797 1 Ni Ni2 1 0.00000000 0.00000000 -0.00000000 1 Ta Ta3 1 0.00000000 -0.00000000 13.04243315 1 [/CIF]
Bi2NiTa
R-3m
166
trigonal
-3m
12,929.742327
false
[CIF] data_AsPbBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.61334520 _cell_length_b 9.61334520 _cell_length_c 9.61334520 _cell_angle_alpha 21.88894702 _cell_angle_beta 21.88894702 _cell_angle_gamma 21.88894702 _symmetry_Int_Tables_number 1 _chemical_formula_structural AsPbBr2 _chemical_formula_sum 'As1 Pb1 Br2' _cell_volume 108.23673449 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Br Br1 1 -0.00000000 0.00000000 7.08165626 1 Br Br2 1 -0.00000000 0.00000000 21.05680242 1 Pb Pb3 1 0.00000000 0.00000000 14.06922934 1 [/CIF]
AsBr2Pb
R-3m
166
trigonal
-3m
6,779.965852
false
[CIF] data_TaBiPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87751461 _cell_length_b 4.87751461 _cell_length_c 5.27118998 _cell_angle_alpha 98.72907638 _cell_angle_beta 98.72907638 _cell_angle_gamma 38.23640417 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaBiPd2 _chemical_formula_sum 'Ta1 Bi1 Pd2' _cell_volume 76.60477725 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.70958326 0.00000000 1.22565887 1 Pd Pd1 1 8.31717552 0.00000000 5.07342848 1 Pd Pd2 1 1.65962976 0.00000000 3.80375695 1 Ta Ta3 1 4.23941931 -0.00000000 2.90402873 1 [/CIF]
BiPd2Ta
Cm
8
monoclinic
m
13,066.029469
false
[CIF] data_NbRuCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40302737 _cell_length_b 4.40302737 _cell_length_c 4.40302737 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbRuCl2 _chemical_formula_sum 'Nb1 Ru1 Cl2' _cell_volume 60.35859989 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.67011577 4.67011577 4.67011577 1 Cl Cl1 1 1.55670526 1.55670526 1.55670526 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 Ru Ru3 1 3.11341051 3.11341051 3.11341051 1 [/CIF]
Cl2NbRu
Fm-3m
225
cubic
m-3m
7,287.23895
false
[CIF] data_CaY2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.80869901 _cell_length_b 6.80869901 _cell_length_c 6.80869901 _cell_angle_alpha 147.30337703 _cell_angle_beta 132.04440840 _cell_angle_gamma 59.25293786 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaY2In _chemical_formula_sum 'Ca1 Y2 In1' _cell_volume 125.53988735 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 -0.00000000 -0.00000000 5.91857498 1 Y Y2 1 -0.00000000 2.76693667 2.55678083 1 Y Y3 1 1.91648476 0.00000000 3.36179415 1 [/CIF]
CaInY2
Immm
71
orthorhombic
mmm
4,400.822926
false
[CIF] data_KNi2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32768808 _cell_length_b 4.11777808 _cell_length_c 4.88124097 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNi2Sn _chemical_formula_sum 'K1 Ni2 Sn1' _cell_volume 66.88608806 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 0.00000000 2.05888904 2.44062049 1 Ni Ni2 1 1.66384404 2.05888904 0.00000000 1 Sn Sn3 1 1.66384404 0.00000000 2.44062049 1 [/CIF]
KNi2Sn
Pmmm
47
orthorhombic
mmm
6,832.096595
false
[CIF] data_TcSn2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96431491 _cell_length_b 4.96431491 _cell_length_c 4.96431491 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcSn2Hg _chemical_formula_sum 'Tc1 Sn2 Hg1' _cell_volume 86.50933479 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.51030074 3.51030074 3.51030074 1 Sn Sn1 1 5.26545111 5.26545111 5.26545111 1 Sn Sn2 1 1.75515037 1.75515037 1.75515037 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgSn2Tc
Fm-3m
225
cubic
m-3m
10,306.059199
false
[CIF] data_CoGeP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49144446 _cell_length_b 4.49144446 _cell_length_c 4.49144446 _cell_angle_alpha 127.54650404 _cell_angle_beta 127.54650404 _cell_angle_gamma 77.36083389 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoGeP2 _chemical_formula_sum 'Co1 Ge1 P2' _cell_volume 55.25450179 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 3.50621945 1 Ge Ge1 1 -0.00000000 1.98488016 1.75310973 1 P P2 1 0.00000000 0.00000000 0.00000000 1 P P3 1 1.98488016 -0.00000000 1.75310973 1 [/CIF]
CoGeP2
I-4m2
119
tetragonal
-42m
5,815.792446
false
[CIF] data_YC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64733051 _cell_length_b 3.64733051 _cell_length_c 3.64733051 _cell_angle_alpha 72.78582799 _cell_angle_beta 72.78582799 _cell_angle_gamma 72.78582799 _symmetry_Int_Tables_number 1 _chemical_formula_structural YC2 _chemical_formula_sum 'Y1 C2' _cell_volume 43.10113463 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 -0.00000000 -0.00000000 5.84816581 1 C C1 1 -0.00000000 -0.00000000 4.53911905 1 Y Y2 1 -0.00000000 0.00000000 0.23994252 1 [/CIF]
C2Y
R3m
160
trigonal
3m
4,350.700091
false
[CIF] data_LiScTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49564926 _cell_length_b 4.49564926 _cell_length_c 5.12113241 _cell_angle_alpha 98.27499643 _cell_angle_beta 98.27499643 _cell_angle_gamma 39.34939340 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiScTc2 _chemical_formula_sum 'Li1 Sc1 Tc2' _cell_volume 64.85441194 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.78136945 -0.00000000 2.47746392 1 Sc Sc1 1 1.55072880 -0.00000000 3.71023830 1 Tc Tc2 1 0.04881336 -0.00000000 0.28406154 1 Tc Tc3 1 6.14452885 -0.00000000 1.11967300 1 [/CIF]
LiScTc2
Cm
8
monoclinic
m
6,393.583034
false
[CIF] data_Li _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16807890 _cell_length_b 4.16807890 _cell_length_c 5.09231868 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li _chemical_formula_sum Li4 _cell_volume 76.61575197 _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 Li Li0 1 0.00000000 0.00000000 3.81923901 1 Li Li1 1 0.00000000 0.00000000 1.27307967 1 Li Li2 1 2.08403945 1.20322074 3.81923901 1 Li Li3 1 -0.00000000 2.40644147 1.27307967 1 [/CIF]
Li4
P6_3/mmc
194
hexagonal
6/mmm
601.745796
false
[CIF] data_Ge3PdW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72619518 _cell_length_b 4.72619518 _cell_length_c 4.72619518 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ge3PdW _chemical_formula_sum 'Ge3 Pd1 W1' _cell_volume 105.56864780 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.36309759 0.00000000 1 Ge Ge1 1 0.00000000 0.00000000 2.36309759 1 Ge Ge2 1 2.36309759 0.00000000 0.00000000 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 W W4 1 2.36309759 2.36309759 2.36309759 1 [/CIF]
Ge3PdW
Pm-3m
221
cubic
m-3m
7,993.40297
false
[CIF] data_Mg5Si9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.05335021 _cell_length_b 6.86101533 _cell_length_c 13.56817713 _cell_angle_alpha 104.50489530 _cell_angle_beta 93.15392156 _cell_angle_gamma 106.82664646 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg5Si9 _chemical_formula_sum 'Mg10 Si18' _cell_volume 517.22796248 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 1.03136428 0.49519471 8.98162474 1 Mg Mg1 1 2.70505296 3.78856067 5.28838362 1 Mg Mg2 1 3.02741265 -0.91300134 7.00152051 1 Mg Mg3 1 -0.30930373 3.30072090 5.21275220 1 Mg Mg4 1 4.08995179 1.91632514 7.88815027 1 Mg Mg5 1 0.27239849 0.36832311 5.88259704 1 Mg Mg6 1 1.87123358 3.86506705 1.61887409 1 Mg Mg7 1 -0.20316674 -1.65478203 12.04964785 1 Mg Mg8 1 2.72213723 0.34922903 1.11724509 1 Mg Mg9 1 1.83324865 -2.75891858 9.87889728 1 Si Si10 1 0.17818435 1.57179980 1.74968405 1 Si Si11 1 2.05194758 -0.35899510 11.52277801 1 Si Si12 1 2.27359291 -0.69025618 4.29881291 1 Si Si13 1 4.55552756 -2.46829393 8.92156717 1 Si Si14 1 4.43795206 -0.18740341 3.31821960 1 Si Si15 1 3.35977787 2.74230766 10.69378582 1 Si Si16 1 4.01794318 2.35438675 2.76124292 1 Si Si17 1 -0.85039510 1.17498218 10.77939648 1 Si Si18 1 -1.72757064 4.82100708 3.17314987 1 Si Si19 1 0.28395234 -1.78537821 7.48243643 1 Si Si20 1 1.54360911 1.97244072 12.02518766 1 Si Si21 1 3.94695048 5.88448863 0.99255017 1 Si Si22 1 1.67742808 1.68320964 3.68637145 1 Si Si23 1 3.62506324 -0.32089740 9.67482385 1 Si Si24 1 4.23068170 2.59447892 0.27473474 1 Si Si25 1 -0.33464238 4.53977787 0.14137468 1 Si Si26 1 1.13381444 2.76798681 7.46949074 1 Si Si27 1 3.83213361 1.23196357 5.25182345 1 [/CIF]
Mg10Si18
P1
1
triclinic
1
2,403.314147
false
[CIF] data_V5(PbO6)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.43225094 _cell_length_b 4.96157455 _cell_length_c 11.97219817 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.52445027 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V5(PbO6)2 _chemical_formula_sum 'V10 Pb4 O24' _cell_volume 495.35033377 _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 O O0 1 6.99581334 2.66674600 0.19556510 1 O O1 1 3.00375438 4.83821706 0.36445945 1 O O2 1 0.33937420 4.90086393 1.25491274 1 O O3 1 4.39368977 2.23164677 1.55523134 1 O O4 1 6.33722329 4.92728640 2.04214298 1 O O5 1 -0.44366407 2.26504665 2.95998442 1 O O6 1 3.77246140 4.74095749 2.95998442 1 O O7 1 1.20769952 4.92728640 3.87782586 1 O O8 1 3.15123304 2.23164677 4.36473749 1 O O9 1 7.20554861 4.90086393 4.66505609 1 O O10 1 4.54116843 4.83821706 5.55550939 1 O O11 1 0.54910947 2.66674600 5.72440373 1 O O12 1 6.10848521 2.29482855 6.11553394 1 O O13 1 2.11642625 0.12335749 6.28442828 1 O O14 1 -0.54795394 0.06071062 7.17488158 1 O O15 1 3.50636164 2.72992778 7.47520018 1 O O16 1 5.44989516 0.03428815 7.96211181 1 O O17 1 2.88513327 0.22061706 8.87995325 1 O O18 1 -1.33099220 2.69652790 8.87995325 1 O O19 1 0.32037138 0.03428815 9.79779469 1 O O20 1 2.26390490 2.72992778 10.28470633 1 O O21 1 6.31822048 0.06071062 10.58502493 1 O O22 1 3.65384029 0.12335749 11.47547822 1 O O23 1 -0.33821867 2.29482855 11.64437256 1 Pb Pb24 1 2.04226066 3.20082799 2.11867764 1 Pb Pb25 1 5.50266215 3.20082799 3.80129120 1 Pb Pb26 1 1.15493252 1.76074656 8.03864647 1 Pb Pb27 1 4.61533402 1.76074656 9.72126003 1 V V28 1 7.11470386 4.31252176 0.33224949 1 V V29 1 4.56202643 0.57745395 1.36707378 1 V V30 1 -0.44366407 0.60314175 2.95998442 1 V V31 1 2.98289638 0.57745395 4.55289506 1 V V32 1 0.43021895 4.31252176 5.58771935 1 V V33 1 6.22737572 0.64905279 6.25221832 1 V V34 1 3.67469830 4.38412060 7.28704261 1 V V35 1 -1.33099220 4.35843280 8.87995325 1 V V36 1 2.09556824 4.38412060 10.47286389 1 V V37 1 -0.45710919 0.64905279 11.50768818 1 [/CIF]
O24Pb4V10
P2/c
13
monoclinic
2/m
5,773.250126
false
[CIF] data_Nb2PbBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.48327093 _cell_length_b 9.48327093 _cell_length_c 9.48327093 _cell_angle_alpha 19.29455049 _cell_angle_beta 19.29455049 _cell_angle_gamma 19.29455049 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2PbBr _chemical_formula_sum 'Nb2 Pb1 Br1' _cell_volume 81.40177199 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 0.00000000 -0.00000000 7.11143034 1 Nb Nb2 1 -0.00000000 0.00000000 20.80064782 1 Pb Pb3 1 0.00000000 0.00000000 13.95603908 1 [/CIF]
BrNb2Pb
R-3m
166
trigonal
-3m
9,647.170276
false
[CIF] data_BaYNiPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95058338 _cell_length_b 4.95058338 _cell_length_c 4.95058338 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaYNiPt _chemical_formula_sum 'Ba1 Y1 Ni1 Pt1' _cell_volume 85.79345172 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.75029554 1.75029554 1.75029554 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 5.25088662 5.25088662 5.25088662 1 Y Y3 1 3.50059108 3.50059108 3.50059108 1 [/CIF]
BaNiPtY
F-43m
216
cubic
-43m
9,290.636483
false
[CIF] data_PrZnSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60486196 _cell_length_b 4.60486196 _cell_length_c 16.64207235 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrZnSn _chemical_formula_sum 'Pr4 Zn4 Sn4' _cell_volume 305.61260900 _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 Pr Pr0 1 0.00000000 0.00000000 8.32103617 1 Pr Pr1 1 0.00000000 0.00000000 0.00000000 1 Pr Pr2 1 0.00000000 0.00000000 4.16051809 1 Pr Pr3 1 0.00000000 0.00000000 12.48155426 1 Zn Zn4 1 0.00000000 2.65861829 5.74801702 1 Zn Zn5 1 2.30243098 1.32930914 10.89405533 1 Zn Zn6 1 2.30243098 1.32930914 14.06905319 1 Zn Zn7 1 0.00000000 2.65861829 2.57301916 1 Sn Sn8 1 0.00000000 2.65861829 14.70778525 1 Sn Sn9 1 2.30243098 1.32930914 1.93428710 1 Sn Sn10 1 2.30243098 1.32930914 6.38674907 1 Sn Sn11 1 0.00000000 2.65861829 10.25532328 1 [/CIF]
Pr4Sn4Zn4
P6_3/mmc
194
hexagonal
6/mmm
7,063.399288
false
[CIF] data_Zn2CuOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24967807 _cell_length_b 4.24967807 _cell_length_c 4.24967807 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2CuOs _chemical_formula_sum 'Zn2 Cu1 Os1' _cell_volume 54.26915969 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 3.00497618 3.00497618 3.00497618 1 Zn Zn2 1 1.50248809 1.50248809 1.50248809 1 Zn Zn3 1 4.50746427 4.50746427 4.50746427 1 [/CIF]
CuOsZn2
Fm-3m
225
cubic
m-3m
11,766.112727
false
[CIF] data_AgAsAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91323613 _cell_length_b 2.91323613 _cell_length_c 8.66745075 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgAsAu2 _chemical_formula_sum 'Ag1 As1 Au2' _cell_volume 73.56017563 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.45661807 1.45661807 4.30662208 1 As As1 1 0.00000000 0.00000000 6.49494217 1 Au Au2 1 1.45661807 1.45661807 0.01955186 1 Au Au3 1 0.00000000 0.00000000 2.18006001 1 [/CIF]
AgAsAu2
P4mm
99
tetragonal
4mm
13,018.87823
false
[CIF] data_YAuBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83533367 _cell_length_b 4.83533367 _cell_length_c 4.83533367 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YAuBr _chemical_formula_sum 'Y1 Au1 Br1' _cell_volume 79.94003777 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 5.12864585 5.12864585 5.12864585 1 Br Br1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 1.70954862 1.70954862 1.70954862 1 [/CIF]
AuBrY
F-43m
216
cubic
-43m
7,598.020346
false
[CIF] data_Zr2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77273152 _cell_length_b 5.77273152 _cell_length_c 18.87907461 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Hg _chemical_formula_sum 'Zr16 Hg8' _cell_volume 544.84636038 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 0.00000000 0.00000000 1.74301075 1 Hg Hg1 1 0.00000000 0.00000000 17.13606386 1 Hg Hg2 1 0.00000000 0.00000000 11.18254806 1 Hg Hg3 1 0.00000000 0.00000000 7.69652655 1 Hg Hg4 1 2.88636576 1.66644405 15.94194936 1 Hg Hg5 1 -0.00000000 3.33288810 2.93712525 1 Hg Hg6 1 0.00000000 3.33288810 6.50241206 1 Hg Hg7 1 2.88636576 1.66644405 12.37666255 1 Zr Zr8 1 2.88636576 1.66644405 2.34930034 1 Zr Zr9 1 -0.00000000 3.33288810 16.52977427 1 Zr Zr10 1 0.00000000 3.33288810 11.78883764 1 Zr Zr11 1 2.88636576 1.66644405 7.09023697 1 Zr Zr12 1 -1.44318288 2.49966607 0.00000000 1 Zr Zr13 1 1.44318288 2.49966607 0.00000000 1 Zr Zr14 1 2.88636576 0.00000000 0.00000000 1 Zr Zr15 1 -1.44318288 2.49966607 9.43953730 1 Zr Zr16 1 1.44318288 2.49966607 9.43953730 1 Zr Zr17 1 2.88636576 0.00000000 9.43953730 1 Zr Zr18 1 1.42208156 0.82103917 4.71976865 1 Zr Zr19 1 4.35064997 0.82103917 4.71976865 1 Zr Zr20 1 2.88636576 3.35725381 4.71976865 1 Zr Zr21 1 1.46428421 4.17829298 14.15930596 1 Zr Zr22 1 -1.46428421 4.17829298 14.15930596 1 Zr Zr23 1 0.00000000 1.64207834 14.15930596 1 [/CIF]
Hg8Zr16
P6_3/mmc
194
hexagonal
6/mmm
9,339.140119
false
[CIF] data_MnSbSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.01374663 _cell_length_b 3.01374663 _cell_length_c 8.30627292 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnSbSe2 _chemical_formula_sum 'Mn1 Sb1 Se2' _cell_volume 75.44312573 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sb Sb1 1 0.00000000 0.00000000 4.15313646 1 Se Se2 1 1.50687332 1.50687332 6.86157583 1 Se Se3 1 1.50687332 1.50687332 1.44469709 1 [/CIF]
MnSbSe2
P4/mmm
123
tetragonal
4/mmm
7,365.102361
false
[CIF] data_TaPtBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.95342599 _cell_length_b 7.95342599 _cell_length_c 7.95342599 _cell_angle_alpha 157.54370838 _cell_angle_beta 146.32138580 _cell_angle_gamma 40.85807525 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaPtBr2 _chemical_formula_sum 'Ta1 Pt1 Br2' _cell_volume 106.37618687 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.54866096 0.00000000 2.18131895 1 Br Br1 1 0.00000000 2.30401594 5.27187800 1 Pt Pt2 1 0.00000000 0.00000000 7.45319695 1 Ta Ta3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br2PtTa
Immm
71
orthorhombic
mmm
8,364.494727
false
[CIF] data_Ga2RePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15523577 _cell_length_b 5.15523577 _cell_length_c 5.15523577 _cell_angle_alpha 131.84568050 _cell_angle_beta 131.84568050 _cell_angle_gamma 70.47286722 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2RePb _chemical_formula_sum 'Ga2 Re1 Pb1' _cell_volume 74.50043446 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.10316369 2.10534206 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 2.10316369 0.00000000 2.10534207 1 Re Re3 1 0.00000000 0.00000000 4.21068413 1 [/CIF]
Ga2PbRe
I-4m2
119
tetragonal
-42m
11,876.752527
false
[CIF] data_TaZnInOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54537315 _cell_length_b 4.54537315 _cell_length_c 4.54537315 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaZnInOs _chemical_formula_sum 'Ta1 Zn1 In1 Os1' _cell_volume 66.40390657 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 3.21406418 3.21406418 3.21406418 1 Os Os1 1 1.60703209 1.60703209 1.60703209 1 Ta Ta2 1 4.82109627 4.82109627 4.82109627 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InOsTaZn
F-43m
216
cubic
-43m
13,788.062126
false
[CIF] data_LiFe2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95179832 _cell_length_b 3.95179832 _cell_length_c 3.95179832 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiFe2As _chemical_formula_sum 'Li1 Fe2 As1' _cell_volume 43.63845026 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.79434339 2.79434339 2.79434339 1 Fe Fe1 1 1.39717170 1.39717169 1.39717170 1 Fe Fe2 1 4.19151508 4.19151509 4.19151509 1 Li Li3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
AsFe2Li
Fm-3m
225
cubic
m-3m
7,365.102378
false
[CIF] data_Cd3CuO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57116902 _cell_length_b 4.57116902 _cell_length_c 4.57116902 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd3CuO _chemical_formula_sum 'Cd3 Cu1 O1' _cell_volume 95.51725634 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O O0 1 0.00000000 0.00000000 0.00000000 1 Cu Cu1 1 2.28558451 2.28558451 2.28558451 1 Cd Cd2 1 0.00000000 2.28558451 0.00000000 1 Cd Cd3 1 0.00000000 0.00000000 2.28558451 1 Cd Cd4 1 2.28558451 0.00000000 0.00000000 1 [/CIF]
Cd3CuO
Pm-3m
221
cubic
m-3m
7,245.568412
false
[CIF] data_BaHf4Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.17863042 _cell_length_b 6.17863042 _cell_length_c 6.17863042 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaHf4Te _chemical_formula_sum 'Ba1 Hf4 Te1' _cell_volume 166.78679279 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.18447573 2.18447573 2.18447573 1 Hf Hf1 1 3.29893231 3.29893231 5.43897063 1 Hf Hf2 1 3.29893231 5.43897063 3.29893231 1 Hf Hf3 1 5.43897063 3.29893231 3.29893231 1 Hf Hf4 1 5.43897063 5.43897063 5.43897063 1 Te Te5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaHf4Te
F-43m
216
cubic
-43m
9,745.85624
false
[CIF] data_Mn4BeCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58843719 _cell_length_b 4.58843719 _cell_length_c 4.58843719 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn4BeCu _chemical_formula_sum 'Mn4 Be1 Cu1' _cell_volume 68.30922761 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Cu Cu1 1 1.62225752 1.62225752 1.62225752 1 Mn Mn2 1 2.43379447 2.43379447 4.05523563 1 Mn Mn3 1 2.43379447 4.05523563 2.43379447 1 Mn Mn4 1 4.05523563 2.43379447 2.43379447 1 Mn Mn5 1 4.05523563 4.05523563 4.05523563 1 [/CIF]
BeCuMn4
F-43m
216
cubic
-43m
7,105.815607
false
[CIF] data_ZrSc3Al _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09340165 _cell_length_b 5.09340165 _cell_length_c 5.09340165 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSc3Al _chemical_formula_sum 'Zr1 Sc3 Al1' _cell_volume 132.13679660 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sc Sc0 1 0.00000000 2.54670083 0.00000000 1 Sc Sc1 1 0.00000000 0.00000000 2.54670083 1 Sc Sc2 1 2.54670083 0.00000000 0.00000000 1 Al Al3 1 0.00000000 0.00000000 0.00000000 1 Zr Zr4 1 2.54670083 2.54670083 2.54670083 1 [/CIF]
AlSc3Zr
Pm-3m
221
cubic
m-3m
3,180.325769
false
[CIF] data_TaCoAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57754872 _cell_length_b 4.03577300 _cell_length_c 4.47763250 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCoAu2 _chemical_formula_sum 'Ta1 Co1 Au2' _cell_volume 64.64883952 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.78877436 0.00000000 2.23881625 1 Au Au1 1 0.00000000 2.01788650 2.23881625 1 Co Co2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 1.78877436 2.01788650 0.00000000 1 [/CIF]
Au2CoTa
Pmmm
47
orthorhombic
mmm
16,279.847705
false
[CIF] data_SiGeTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58911047 _cell_length_b 3.58911047 _cell_length_c 9.03000223 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 114.58811118 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiGeTe2 _chemical_formula_sum 'Si1 Ge1 Te2' _cell_volume 105.77412218 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.93929553 0.00000000 4.30002819 1 Si Si1 1 0.00000000 0.00000000 2.39913984 1 Te Te2 1 1.93929553 0.00000000 0.60176558 1 Te Te3 1 0.00000000 0.00000000 6.24406973 1 [/CIF]
GeSiTe2
Cmm2
35
orthorhombic
mm2
5,587.644552
false
[CIF] data_CdB2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.99947671 _cell_length_b 5.99947671 _cell_length_c 3.71093129 _cell_angle_alpha 97.11121608 _cell_angle_beta 97.11121608 _cell_angle_gamma 33.00224831 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdB2Te _chemical_formula_sum 'Cd1 B2 Te1' _cell_volume 72.14300858 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.40408493 0.00000000 0.19458289 1 B B1 1 7.89005674 -0.00000000 2.74188093 1 Cd Cd2 1 5.55860699 -0.00000000 2.01571709 1 Te Te3 1 2.68570466 0.00000000 0.56762443 1 [/CIF]
B2CdTe
Cm
8
monoclinic
m
6,022.091761
false
[CIF] data_NaScTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.79046839 _cell_length_b 7.79046839 _cell_length_c 4.21087447 _cell_angle_alpha 91.51586295 _cell_angle_beta 91.51586295 _cell_angle_gamma 28.60183049 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaScTe2 _chemical_formula_sum 'Na1 Sc1 Te2' _cell_volume 122.29790787 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.12270136 -0.00000000 1.48132411 1 Sc Sc1 1 10.43098792 -0.00000000 3.73769249 1 Te Te2 1 0.74079781 -0.00000000 3.63579730 1 Te Te3 1 4.06529114 0.00000000 1.66844872 1 [/CIF]
NaScTe2
Cm
8
monoclinic
m
4,387.614125
false
[CIF] data_SnAs2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.31457802 _cell_length_b 6.31457802 _cell_length_c 6.31457802 _cell_angle_alpha 152.01124755 _cell_angle_beta 138.17031499 _cell_angle_gamma 51.08474043 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnAs2Ru _chemical_formula_sum 'Sn1 As2 Ru1' _cell_volume 78.44693093 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 1.52703329 0.00000000 2.14205591 1 As As1 1 0.00000000 2.25417802 3.55537740 1 Ru Ru2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 0.00000000 -0.00000000 5.69743331 1 [/CIF]
As2RuSn
Immm
71
orthorhombic
mmm
7,824.06343
false
[CIF] data_Tm2ScAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17378718 _cell_length_b 5.17378718 _cell_length_c 5.17378718 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm2ScAl _chemical_formula_sum 'Tm2 Sc1 Al1' _cell_volume 97.92885653 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sc Sc1 1 3.65842000 3.65842000 3.65842000 1 Tm Tm2 1 1.82921000 1.82921000 1.82921000 1 Tm Tm3 1 5.48763000 5.48763000 5.48763000 1 [/CIF]
AlScTm2
Fm-3m
225
cubic
m-3m
6,948.908442
false
[CIF] data_BaZrNiSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09267062 _cell_length_b 5.09267062 _cell_length_c 5.09267062 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaZrNiSn _chemical_formula_sum 'Ba1 Zr1 Ni1 Sn1' _cell_volume 93.39460004 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.80053097 1.80053097 1.80053097 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 5.40159290 5.40159290 5.40159290 1 Zr Zr3 1 3.60106193 3.60106193 3.60106193 1 [/CIF]
BaNiSnZr
F-43m
216
cubic
-43m
7,217.795678
false
[CIF] data_GaReSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29292376 _cell_length_b 4.29292376 _cell_length_c 4.29292376 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaReSe _chemical_formula_sum 'Ga1 Re1 Se1' _cell_volume 55.94284238 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 1.51777775 1.51777775 1.51777775 1 Se Se2 1 3.03555550 3.03555550 3.03555550 1 [/CIF]
GaReSe
F-43m
216
cubic
-43m
9,940.466096
false
[CIF] data_NaTiTcNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39663323 _cell_length_b 4.39663323 _cell_length_c 4.39663323 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTiTcNi _chemical_formula_sum 'Na1 Ti1 Tc1 Ni1' _cell_volume 60.09602067 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.66333376 4.66333376 4.66333376 1 Tc Tc2 1 1.55444459 1.55444459 1.55444459 1 Ti Ti3 1 3.10888917 3.10888917 3.10888917 1 [/CIF]
NaNiTcTi
F-43m
216
cubic
-43m
6,312.576473
false
[CIF] data_LaSbRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27163277 _cell_length_b 5.27163277 _cell_length_c 4.76741016 _cell_angle_alpha 103.23481938 _cell_angle_beta 103.23481938 _cell_angle_gamma 41.21758338 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaSbRh2 _chemical_formula_sum 'La1 Sb1 Rh2' _cell_volume 84.64662657 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.17055886 0.00000000 1.00363790 1 Rh Rh1 1 8.65608956 0.00000000 4.47836966 1 Rh Rh2 1 1.54148741 0.00000000 3.33003259 1 Sb Sb3 1 4.38803707 0.00000000 2.74446332 1 [/CIF]
LaRh2Sb
Cm
8
monoclinic
m
9,151.01326
false
[CIF] data_Pa2NbTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18092887 _cell_length_b 5.18092887 _cell_length_c 5.18092887 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa2NbTl _chemical_formula_sum 'Pa2 Nb1 Tl1' _cell_volume 98.33494774 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 0.00000000 0.00000000 1 Pa Pa1 1 5.49520490 5.49520490 5.49520490 1 Pa Pa2 1 1.83173497 1.83173497 1.83173497 1 Tl Tl3 1 3.66346994 3.66346994 3.66346994 1 [/CIF]
NbPa2Tl
Fm-3m
225
cubic
m-3m
12,823.00307
false
[CIF] data_SnHgMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71231498 _cell_length_b 4.71231498 _cell_length_c 4.71231498 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnHgMo2 _chemical_formula_sum 'Sn1 Hg1 Mo2' _cell_volume 73.99254038 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 4.99816482 4.99816482 4.99816482 1 Sn Sn2 1 3.33210988 3.33210988 3.33210988 1 Hg Hg3 1 1.66605494 1.66605494 1.66605494 1 [/CIF]
HgMo2Sn
F-43m
216
cubic
-43m
11,472.788706
false
[CIF] data_ZrZnPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88965875 _cell_length_b 4.88965875 _cell_length_c 4.88965875 _cell_angle_alpha 130.40691188 _cell_angle_beta 130.40691188 _cell_angle_gamma 72.75708194 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrZnPt2 _chemical_formula_sum 'Zr1 Zn1 Pt2' _cell_volume 66.22247602 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000000 2.05070981 1.96837124 1 Pt Pt1 1 2.05070981 -0.00000000 1.96837124 1 Zn Zn2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 0.00000000 0.00000000 3.93674247 1 [/CIF]
Pt2ZnZr
I4/mmm
139
tetragonal
4/mmm
13,710.394433
false
[CIF] data_Mn3Be2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.17563975 _cell_length_b 4.50459856 _cell_length_c 7.00600620 _cell_angle_alpha 60.33719494 _cell_angle_beta 39.33300451 _cell_angle_gamma 80.32980055 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3Be2 _chemical_formula_sum 'Mn6 Be4' _cell_volume 98.84225492 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 5.83692205 5.24779481 2.76157204 1 Be Be1 1 2.06712815 6.32210069 2.76157204 1 Be Be2 1 3.86090950 9.21457456 1.68072679 1 Be Be3 1 4.04314070 2.35532094 1.68072679 1 Mn Mn4 1 3.79695009 4.64447382 1.75949080 1 Mn Mn5 1 4.10710011 6.92542168 1.75949080 1 Mn Mn6 1 5.77296264 9.81789555 2.84033605 1 Mn Mn7 1 6.08311266 7.53694770 2.84033605 1 Mn Mn8 1 3.95202510 5.78494775 3.92801728 1 Mn Mn9 1 1.97601255 2.89247387 0.68548153 1 [/CIF]
Be4Mn6
Fdd2
43
orthorhombic
mm2
6,143.333551
false
[CIF] data_KFeW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23666009 _cell_length_b 3.23666009 _cell_length_c 8.28784126 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KFeW2 _chemical_formula_sum 'K1 Fe1 W2' _cell_volume 86.82316429 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.14392063 1 K K1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 1.61833004 1.61833004 2.98766831 1 W W3 1 1.61833004 1.61833004 5.30017295 1 [/CIF]
FeKW2
P4/mmm
123
tetragonal
4/mmm
8,847.91598
false
[CIF] data_Sc2TlIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75355776 _cell_length_b 4.75355776 _cell_length_c 4.75355776 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2TlIr _chemical_formula_sum 'Sc2 Tl1 Ir1' _cell_volume 75.95236989 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 3.36127293 3.36127293 3.36127293 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Sc Sc2 1 5.04190940 5.04190940 5.04190940 1 Tl Tl3 1 1.68063647 1.68063647 1.68063647 1 [/CIF]
IrSc2Tl
F-43m
216
cubic
-43m
10,636.565908
false
[CIF] data_TlNiHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10352957 _cell_length_b 3.10352957 _cell_length_c 9.05108884 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 93.83845369 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlNiHg2 _chemical_formula_sum 'Tl1 Ni1 Hg2' _cell_volume 86.98358121 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 2.11979981 0.00000000 7.36095105 1 Hg Hg1 1 2.11979981 0.00000000 1.69013779 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 0.00000000 0.00000000 4.52554442 1 [/CIF]
Hg2NiTl
Cmmm
65
orthorhombic
mmm
12,680.832235
false
[CIF] data_ZnInBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10240772 _cell_length_b 5.10240772 _cell_length_c 5.10240772 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnInBi _chemical_formula_sum 'Zn1 In1 Bi1' _cell_volume 93.93133168 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.41192065 5.41192065 5.41192065 1 In In1 1 3.60794710 3.60794710 3.60794710 1 Zn Zn2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiInZn
F-43m
216
cubic
-43m
6,879.982702
false
[CIF] data_Be2VSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76078015 _cell_length_b 4.76078015 _cell_length_c 4.76078015 _cell_angle_alpha 134.59742087 _cell_angle_beta 134.59742087 _cell_angle_gamma 66.15636420 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2VSb _chemical_formula_sum 'Be2 V1 Sb1' _cell_volume 53.86544365 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.83731267 1.99459218 1 Be Be1 1 1.83731267 0.00000000 1.99459218 1 Sb Sb2 1 0.00000000 0.00000000 3.98918436 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be2SbV
I4/mmm
139
tetragonal
4/mmm
5,879.622049
false
[CIF] data_CaYTaRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94178236 _cell_length_b 4.94178236 _cell_length_c 4.94178236 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaYTaRh _chemical_formula_sum 'Ca1 Y1 Ta1 Rh1' _cell_volume 85.33670056 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 5.24155173 5.24155173 5.24155173 1 Ta Ta2 1 3.49436782 3.49436782 3.49436782 1 Y Y3 1 1.74718391 1.74718391 1.74718391 1 [/CIF]
CaRhTaY
F-43m
216
cubic
-43m
8,033.265219
false
[CIF] data_ZrGaHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23845230 _cell_length_b 4.37947310 _cell_length_c 6.03333125 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrGaHg2 _chemical_formula_sum 'Zr1 Ga1 Hg2' _cell_volume 85.56901601 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 1.61922615 2.18973655 1.51158906 1 Hg Hg2 1 1.61922615 2.18973655 4.52174219 1 Zr Zr3 1 0.00000000 0.00000000 3.01666562 1 [/CIF]
GaHg2Zr
Pmmm
47
orthorhombic
mmm
10,908.549466
false
[CIF] data_SnSbRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.68290719 _cell_length_b 6.68290719 _cell_length_c 6.68290719 _cell_angle_alpha 152.39633234 _cell_angle_beta 152.39633234 _cell_angle_gamma 39.43480638 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnSbRu _chemical_formula_sum 'Sn1 Sb1 Ru1' _cell_volume 63.96281160 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.51808614 1 Sb Sb1 1 -0.00000000 0.00000000 4.63149057 1 Sn Sn2 1 0.00000000 0.00000000 8.01472604 1 [/CIF]
RuSbSn
I4mm
107
tetragonal
4mm
8,866.72446
false
[CIF] data_NaLaZrPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38563798 _cell_length_b 5.38563798 _cell_length_c 5.38563798 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLaZrPb _chemical_formula_sum 'Na1 La1 Zr1 Pb1' _cell_volume 110.45782167 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 1.90411057 1.90411057 1.90411057 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 3.80822114 3.80822114 3.80822114 1 Zr Zr3 1 5.71233171 5.71233171 5.71233171 1 [/CIF]
LaNaPbZr
F-43m
216
cubic
-43m
6,920.090116
false
[CIF] data_CdMoAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.45684657 _cell_length_b 6.45684657 _cell_length_c 6.45684657 _cell_angle_alpha 152.99730363 _cell_angle_beta 133.93742999 _cell_angle_gamma 54.20707225 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdMoAs2 _chemical_formula_sum 'Cd1 Mo1 As2' _cell_volume 87.55189967 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.52613591 3.72016812 1 As As1 1 1.50746863 -0.00000000 2.02761783 1 Cd Cd2 1 0.00000000 0.00000000 5.74778595 1 Mo Mo3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2CdMo
Immm
71
orthorhombic
mmm
6,794.012186
false
[CIF] data_HfCdSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.48102166 _cell_length_b 9.48102166 _cell_length_c 9.48102166 _cell_angle_alpha 22.51788887 _cell_angle_beta 22.51788887 _cell_angle_gamma 22.51788887 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCdSe2 _chemical_formula_sum 'Hf1 Cd1 Se2' _cell_volume 109.64318975 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 -0.00000000 -0.00000000 13.85540303 1 Se Se2 1 0.00000000 -0.00000000 21.48105578 1 Se Se3 1 0.00000000 0.00000000 6.22975027 1 [/CIF]
CdHfSe2
R-3m
166
trigonal
-3m
6,797.365222
false
[CIF] data_LaCdCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03445070 _cell_length_b 5.03445070 _cell_length_c 5.03445070 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCdCu _chemical_formula_sum 'La1 Cd1 Cu1' _cell_volume 90.22798932 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 3.55989423 3.55989423 3.55989423 1 Cu Cu1 1 0.00000000 -0.00000000 0.00000000 1 La La2 1 1.77994712 1.77994712 1.77994712 1 [/CIF]
CdCuLa
F-43m
216
cubic
-43m
5,794.670102
false
[CIF] data_La2InSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.84413362 _cell_length_b 5.84413362 _cell_length_c 5.84413362 _cell_angle_alpha 127.51260990 _cell_angle_beta 127.51260990 _cell_angle_gamma 77.41592179 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2InSn _chemical_formula_sum 'La2 In1 Sn1' _cell_volume 121.82153151 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 2.58421741 -0.00000000 2.28021592 1 La La2 1 -0.00000000 2.58421741 2.28021592 1 Sn Sn3 1 0.00000000 0.00000000 4.56043183 1 [/CIF]
InLa2Sn
I4/mmm
139
tetragonal
4/mmm
6,970.071401
false
[CIF] data_Ca4YAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.68992553 _cell_length_b 6.68992553 _cell_length_c 6.68992553 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca4YAs _chemical_formula_sum 'Ca4 Y1 As1' _cell_volume 211.71364673 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ca Ca1 1 5.90823353 5.90823353 3.55274989 1 Ca Ca2 1 5.90823353 3.55274989 5.90823353 1 Ca Ca3 1 3.55274989 5.90823353 5.90823353 1 Ca Ca4 1 3.55274989 3.55274989 3.55274989 1 Y Y5 1 7.09573757 7.09573757 7.09573757 1 [/CIF]
AsCa4Y
F-43m
216
cubic
-43m
2,542.331248
false
[CIF] data_Mg2TeOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17160134 _cell_length_b 3.17160134 _cell_length_c 8.48539949 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2TeOs _chemical_formula_sum 'Mg2 Te1 Os1' _cell_volume 85.35510068 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 1.58580067 1.58580067 0.16404645 1 Mg Mg1 1 0.00000000 0.00000000 2.48805566 1 Os Os2 1 1.58580067 1.58580067 4.27596047 1 Te Te3 1 0.00000000 0.00000000 5.80003657 1 [/CIF]
Mg2OsTe
P4mm
99
tetragonal
4mm
7,128.899512
false
[CIF] data_DyGa3Ni2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.00367550 _cell_length_b 9.00367550 _cell_length_c 4.06369200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural DyGa3Ni2 _chemical_formula_sum 'Dy3 Ga9 Ni6' _cell_volume 285.29297952 _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 Dy Dy0 1 4.50183775 2.59913724 2.03184600 1 Dy Dy1 1 0.00000000 5.19827448 2.03184600 1 Dy Dy2 1 0.00000000 0.00000000 0.00000000 1 Ga Ga3 1 -3.18658309 5.51932381 2.03184600 1 Ga Ga4 1 2.63050933 0.00000000 2.03184600 1 Ga Ga5 1 3.18658309 5.51932381 2.03184600 1 Ga Ga6 1 1.31525467 2.27808791 2.03184600 1 Ga Ga7 1 6.37316617 0.00000000 2.03184600 1 Ga Ga8 1 -1.31525467 2.27808791 2.03184600 1 Ga Ga9 1 -2.25091888 3.89870586 0.00000000 1 Ga Ga10 1 4.50183775 0.00000000 0.00000000 1 Ga Ga11 1 2.25091888 3.89870586 0.00000000 1 Ni Ni12 1 2.47385213 1.42827919 0.00000000 1 Ni Ni13 1 0.00000000 2.85655839 0.00000000 1 Ni Ni14 1 -2.02798562 6.36913252 0.00000000 1 Ni Ni15 1 6.52982337 1.42827919 0.00000000 1 Ni Ni16 1 4.50183775 4.94085333 0.00000000 1 Ni Ni17 1 2.02798562 6.36913252 0.00000000 1 [/CIF]
Dy3Ga9Ni6
P6/mmm
191
hexagonal
6/mmm
8,539.603317
false
[CIF] data_YHfVW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77208651 _cell_length_b 4.77208651 _cell_length_c 4.77208651 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YHfVW _chemical_formula_sum 'Y1 Hf1 V1 W1' _cell_volume 76.84399337 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68718736 1.68718736 1.68718736 1 V V1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 5.06156210 5.06156210 5.06156210 1 Y Y3 1 3.37437473 3.37437473 3.37437473 1 [/CIF]
HfVWY
F-43m
216
cubic
-43m
10,851.662849
false
[CIF] data_LiCu2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04954446 _cell_length_b 4.04954446 _cell_length_c 4.04954446 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCu2Si _chemical_formula_sum 'Li1 Cu2 Si1' _cell_volume 46.95734323 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 1.43173017 1.43173017 1.43173018 1 Cu Cu2 1 4.29519052 4.29519053 4.29519053 1 Si Si3 1 2.86346035 2.86346035 2.86346035 1 [/CIF]
Cu2LiSi
Fm-3m
225
cubic
m-3m
5,732.950038
false
[CIF] data_KCoP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75105030 _cell_length_b 3.75105030 _cell_length_c 5.44954776 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCoP _chemical_formula_sum 'K1 Co1 P1' _cell_volume 66.40440206 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000002 2.16566991 0.00000000 1 K K1 1 1.87552513 1.08283496 2.72477388 1 P P2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CoKP
P-6m2
187
hexagonal
-6m2
3,225.964881
false
[CIF] data_VOsPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.78182535 _cell_length_b 3.78182535 _cell_length_c 4.02690643 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VOsPd2 _chemical_formula_sum 'V1 Os1 Pd2' _cell_volume 57.59363313 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.89091268 1.89091268 0.00000000 1 Pd Pd1 1 1.89091268 0.00000000 2.01345322 1 Pd Pd2 1 0.00000000 1.89091268 2.01345322 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
OsPd2V
P4/mmm
123
tetragonal
4/mmm
13,090.14106
false
[CIF] data_ZrAlHgRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63963913 _cell_length_b 4.63963913 _cell_length_c 4.63963913 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAlHgRh _chemical_formula_sum 'Zr1 Al1 Hg1 Rh1' _cell_volume 70.62160922 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Zr Zr1 1 4.92108044 4.92108044 4.92108044 1 Rh Rh2 1 3.28072029 3.28072029 3.28072029 1 Hg Hg3 1 1.64036014 1.64036014 1.64036014 1 [/CIF]
AlHgRhZr
F-43m
216
cubic
-43m
9,915.535157
false
[CIF] data_FeCoPtAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34394107 _cell_length_b 4.34394107 _cell_length_c 4.34394107 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeCoPtAu _chemical_formula_sum 'Fe1 Co1 Pt1 Au1' _cell_volume 57.96112123 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 4.60744528 4.60744529 4.60744529 1 Co Co1 1 3.07163019 3.07163019 3.07163019 1 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 1.53581509 1.53581509 1.53581510 1 [/CIF]
AuCoFePt
F-43m
216
cubic
-43m
14,520.232613
false
[CIF] data_CaTa2Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73439978 _cell_length_b 5.73439978 _cell_length_c 2.80612045 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.88676855 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTa2Zn _chemical_formula_sum 'Ca1 Ta2 Zn1' _cell_volume 80.00318408 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ta Ta1 1 1.43605284 2.48165015 1.40306022 1 Ta Ta2 1 1.43605284 -2.48165014 1.40306022 1 Zn Zn3 1 2.87210568 -0.00000000 0.00000000 1 [/CIF]
CaTa2Zn
Cmmm
65
orthorhombic
mmm
9,700.353621
false
[CIF] data_Cu2BiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12474751 _cell_length_b 5.12474751 _cell_length_c 4.64145624 _cell_angle_alpha 104.78963288 _cell_angle_beta 104.78963288 _cell_angle_gamma 35.96876139 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2BiMo _chemical_formula_sum 'Cu2 Bi1 Mo1' _cell_volume 68.96977212 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.25151007 0.00000000 2.23558536 1 Cu Cu1 1 6.95751842 0.00000000 0.92996962 1 Cu Cu2 1 1.54550173 -0.00000000 3.54120111 1 Mo Mo3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiCu2Mo
C2/m
12
monoclinic
2/m
10,401.75509
false
[CIF] data_SnPPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31450644 _cell_length_b 5.31450644 _cell_length_c 5.31450644 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnPPb2 _chemical_formula_sum 'Sn1 P1 Pb2' _cell_volume 106.13871229 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 3.75792354 3.75792354 3.75792354 1 Pb Pb2 1 5.63688531 5.63688531 5.63688531 1 Sn Sn3 1 1.87896177 1.87896177 1.87896177 1 [/CIF]
PPb2Sn
F-43m
216
cubic
-43m
8,825.084679
false
[CIF] data_NaSrTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11786779 _cell_length_b 5.11786779 _cell_length_c 5.11786779 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSrTc _chemical_formula_sum 'Na1 Sr1 Tc1' _cell_volume 94.78774467 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sr Sr1 1 5.42831853 5.42831853 5.42831853 1 Tc Tc2 1 1.80943951 1.80943951 1.80943951 1 [/CIF]
NaSrTc
F-43m
216
cubic
-43m
3,670.405423
false
[CIF] data_AcIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.70684300 _cell_length_b 3.70684300 _cell_length_c 3.70684300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AcIr _chemical_formula_sum 'Ac1 Ir1' _cell_volume 50.93456211 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ac Ac0 1 1.85342150 1.85342150 1.85342150 1 Ir Ir1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AcIr
Pm-3m
221
cubic
m-3m
13,667.06961
false
[CIF] data_CeMg6Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82434200 _cell_length_b 6.62647549 _cell_length_c 6.62647549 _cell_angle_alpha 56.60589427 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeMg6Ni _chemical_formula_sum 'Ce1 Mg6 Ni1' _cell_volume 176.86425752 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ce Ce0 1 2.41217100 0.00000000 2.29433847 1 Mg Mg1 1 0.00000000 1.53493986 6.59845911 1 Mg Mg2 1 0.00000000 -1.53493986 6.59845911 1 Mg Mg3 1 0.00000000 0.00000000 9.57699178 1 Mg Mg4 1 2.41217100 1.53912478 4.98210130 1 Mg Mg5 1 2.41217100 -1.53912478 4.98210130 1 Mg Mg6 1 2.41217100 0.00000000 7.69835885 1 Ni Ni7 1 0.00000000 0.00000000 3.94359007 1 [/CIF]
CeMg6Ni
Amm2
38
orthorhombic
mm2
3,235.742459
false
[CIF] data_VPt2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77654637 _cell_length_b 4.77654637 _cell_length_c 4.77654637 _cell_angle_alpha 131.29523540 _cell_angle_beta 131.29523540 _cell_angle_gamma 71.34442976 _symmetry_Int_Tables_number 1 _chemical_formula_structural VPt2W _chemical_formula_sum 'V1 Pt2 W1' _cell_volume 60.21165058 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 3.88030585 1 Pt Pt1 1 1.96959663 0.00000000 1.94015293 1 V V2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 -0.00000000 1.96959663 1.94015293 1 [/CIF]
Pt2VW
I-4m2
119
tetragonal
-42m
17,235.59164
false
[CIF] data_CaHf2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39005631 _cell_length_b 4.90132009 _cell_length_c 5.11340014 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHf2Ni _chemical_formula_sum 'Ca1 Hf2 Ni1' _cell_volume 84.96298399 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 0.00000000 2.45066004 2.55670007 1 Hf Hf2 1 1.69502816 0.00000000 2.55670007 1 Ni Ni3 1 1.69502816 2.45066004 0.00000000 1 [/CIF]
CaHf2Ni
Pmmm
47
orthorhombic
mmm
8,907.326094
false
[CIF] data_HfCdGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65170605 _cell_length_b 4.65170605 _cell_length_c 4.65170605 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCdGa _chemical_formula_sum 'Hf1 Cd1 Ga1' _cell_volume 71.17406826 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 3.28925289 3.28925289 3.28925289 1 Ga Ga1 1 -0.00000000 -0.00000000 0.00000000 1 Hf Hf2 1 1.64462644 1.64462644 1.64462645 1 [/CIF]
CdGaHf
F-43m
216
cubic
-43m
8,413.6014
false
[CIF] data_SrRe2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89692427 _cell_length_b 5.36073705 _cell_length_c 5.74271080 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrRe2Cl _chemical_formula_sum 'Sr1 Re2 Cl1' _cell_volume 89.18228456 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 1.44846213 3.80992664 2.87135540 1 Re Re2 1 1.44846213 1.55081041 2.87135540 1 Sr Sr3 1 0.00000000 2.68036853 0.00000000 1 [/CIF]
ClRe2Sr
Pmmm
47
orthorhombic
mmm
9,225.773085
false
[CIF] data_BaCuOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47938620 _cell_length_b 5.47938620 _cell_length_c 5.77031250 _cell_angle_alpha 108.01425990 _cell_angle_beta 108.01425990 _cell_angle_gamma 31.14897522 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCuOs2 _chemical_formula_sum 'Ba1 Cu1 Os2' _cell_volume 84.87037600 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 4.35194003 -0.00000000 2.73243075 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 1.45885779 -0.00000000 4.72665178 1 Os Os3 1 7.24502226 -0.00000000 0.73820972 1 [/CIF]
BaCuOs2
C2/m
12
monoclinic
2/m
11,374.123725
false
[CIF] data_BaCuRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75075032 _cell_length_b 4.75075032 _cell_length_c 4.75075032 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCuRu2 _chemical_formula_sum 'Ba1 Cu1 Ru2' _cell_volume 75.81787748 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 5.03893165 5.03893166 5.03893166 1 Cu Cu1 1 -0.00000000 -0.00000000 0.00000000 1 Ru Ru2 1 1.67964388 1.67964388 1.67964388 1 Ru Ru3 1 3.35928777 3.35928777 3.35928777 1 [/CIF]
BaCuRu2
F-43m
216
cubic
-43m
8,826.662697
false
[CIF] data_ZrAlCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.61610489 _cell_length_b 6.61610489 _cell_length_c 3.97637540 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAlCu _chemical_formula_sum 'Zr3 Al3 Cu3' _cell_volume 150.73800862 _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 Al Al0 1 1.63351587 0.00000000 1.98818770 1 Al Al1 1 -0.81675793 1.41466624 1.98818770 1 Al Al2 1 2.49129451 4.31504867 1.98818770 1 Cu Cu3 1 -0.00000000 3.81980994 1.98818770 1 Cu Cu4 1 3.30805244 1.90990497 1.98818770 1 Cu Cu5 1 0.00000000 0.00000000 0.00000000 1 Zr Zr6 1 3.86210009 0.00000000 0.00000000 1 Zr Zr7 1 -1.93105004 3.34467679 0.00000000 1 Zr Zr8 1 1.37700240 2.38503812 0.00000000 1 [/CIF]
Al3Cu3Zr3
P-62m
189
hexagonal
-6m2
6,006.624422
false
[CIF] data_LaIrPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75711160 _cell_length_b 4.75711160 _cell_length_c 3.89940483 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaIrPb _chemical_formula_sum 'La1 Ir1 Pb1' _cell_volume 76.42151407 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000002 2.74651968 1.94970241 1 La La1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 2.37855578 1.37325985 1.94970241 1 [/CIF]
IrLaPb
P-6m2
187
hexagonal
-6m2
11,697.03981
false
[CIF] data_MnNb2V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38196281 _cell_length_b 4.38196281 _cell_length_c 3.10997873 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnNb2V _chemical_formula_sum 'Mn1 Nb2 V1' _cell_volume 59.71656153 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.19098140 2.19098140 0.00000000 1 Nb Nb1 1 2.19098140 0.00000000 1.55498937 1 Nb Nb2 1 0.00000000 2.19098140 1.55498937 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MnNb2V
P4/mmm
123
tetragonal
4/mmm
8,111.092012
false
[CIF] data_MgTiPb4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.34417774 _cell_length_b 6.34417774 _cell_length_c 6.34417774 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTiPb4 _chemical_formula_sum 'Mg1 Ti1 Pb4' _cell_volume 180.55562679 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.60408931 5.60408931 3.36793289 1 Pb Pb2 1 5.60408931 3.36793289 5.60408931 1 Pb Pb3 1 3.36793289 5.60408931 5.60408931 1 Pb Pb4 1 3.36793289 3.36793289 3.36793289 1 Ti Ti5 1 6.72901665 6.72901665 6.72901665 1 [/CIF]
MgPb4Ti
F-43m
216
cubic
-43m
8,286.08463
false
[CIF] data_In2WAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.63645859 _cell_length_b 5.63645859 _cell_length_c 5.16679051 _cell_angle_alpha 111.43131628 _cell_angle_beta 111.43131628 _cell_angle_gamma 31.04614837 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2WAu _chemical_formula_sum 'In2 W1 Au1' _cell_volume 78.33221173 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.00655738 -0.00000000 0.89233836 1 In In1 1 -0.01327898 0.00000000 0.34366760 1 In In2 1 1.21455637 -0.00000000 3.18598990 1 W W3 1 4.14571996 -0.00000000 2.74930663 1 [/CIF]
AuIn2W
Cm
8
monoclinic
m
12,940.573379
false
[CIF] data_MgBeAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05257672 _cell_length_b 5.05257672 _cell_length_c 5.05257672 _cell_angle_alpha 135.17344323 _cell_angle_beta 135.17344323 _cell_angle_gamma 65.26082705 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBeAg2 _chemical_formula_sum 'Mg1 Be1 Ag2' _cell_volume 63.16771898 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.25510979 1 Ag Ag1 1 0.00000000 1.92646985 2.12755490 1 Be Be2 1 0.00000000 0.00000000 0.00000000 1 Mg Mg3 1 1.92646985 -0.00000000 2.12755490 1 [/CIF]
Ag2BeMg
I-4m2
119
tetragonal
-42m
6,547.065641
false
[CIF] data_HfHg2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20977160 _cell_length_b 3.20977160 _cell_length_c 7.98126323 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfHg2Os _chemical_formula_sum 'Hf1 Hg2 Os1' _cell_volume 82.22803171 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.62420249 1 Hg Hg1 1 1.60488580 1.60488580 7.88738785 1 Hg Hg2 1 0.00000000 0.00000000 2.23586462 1 Os Os3 1 1.60488580 1.60488580 4.20570311 1 [/CIF]
HfHg2Os
P4mm
99
tetragonal
4mm
15,547.605855
false
[CIF] data_LaCoSnPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90435393 _cell_length_b 4.90435393 _cell_length_c 4.90435393 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCoSnPt _chemical_formula_sum 'La1 Co1 Sn1 Pt1' _cell_volume 83.41236100 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 -0.00000000 0.00000000 1 La La1 1 1.73395096 1.73395096 1.73395096 1 Pt Pt2 1 5.20185288 5.20185288 5.20185288 1 Sn Sn3 1 3.46790192 3.46790192 3.46790192 1 [/CIF]
CoLaPtSn
F-43m
216
cubic
-43m
10,185.37322
false
[CIF] data_MgCuNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95990700 _cell_length_b 2.95990700 _cell_length_c 5.83670223 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCuNi2 _chemical_formula_sum 'Mg1 Cu1 Ni2' _cell_volume 51.13563685 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.47995350 1.47995350 2.74708552 1 Mg Mg1 1 0.00000000 0.00000000 4.41893860 1 Ni Ni2 1 1.47995350 1.47995350 0.14908601 1 Ni Ni3 1 0.00000000 0.00000000 1.43994327 1 [/CIF]
CuMgNi2
P4mm
99
tetragonal
4mm
6,664.73336
false
[CIF] data_AlCr2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47839897 _cell_length_b 4.47839897 _cell_length_c 4.47839897 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCr2In _chemical_formula_sum 'Al1 Cr2 In1' _cell_volume 63.51164264 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.58335314 1.58335314 1.58335314 1 Cr Cr2 1 4.75005942 4.75005942 4.75005942 1 In In3 1 3.16670628 3.16670628 3.16670628 1 [/CIF]
AlCr2In
Fm-3m
225
cubic
m-3m
6,426.407204
false
[CIF] data_ReNiAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96784453 _cell_length_b 4.96784453 _cell_length_c 3.03809156 _cell_angle_alpha 107.60830488 _cell_angle_beta 107.60830488 _cell_angle_gamma 107.64154765 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReNiAs2 _chemical_formula_sum 'Re1 Ni1 As2' _cell_volume 61.35721115 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.68785123 -2.00495845 1.30442727 1 As As1 1 0.68785123 2.00495845 1.30442727 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 2.93258345 -0.00000000 0.00000000 1 [/CIF]
As2NiRe
C2/m
12
monoclinic
2/m
10,683.131727
false
[CIF] data_OsRhBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94507868 _cell_length_b 4.37913475 _cell_length_c 5.62254064 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural OsRhBr2 _chemical_formula_sum 'Os1 Rh1 Br2' _cell_volume 72.51332408 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.47253934 0.00000000 2.81127032 1 Br Br1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 0.00000000 2.18956737 2.81127032 1 Rh Rh3 1 1.47253934 2.18956737 0.00000000 1 [/CIF]
Br2OsRh
Pmmm
47
orthorhombic
mmm
10,372.305866
false