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_La2TiNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68893111 _cell_length_b 5.04866506 _cell_length_c 5.20850963 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2TiNb _chemical_formula_sum 'La2 Ti1 Nb1' _cell_volume 97.00420840 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 2.52433253 2.60425482 1 La La1 1 1.84446555 2.52433253 0.00000000 1 Nb Nb2 1 1.84446555 0.00000000 2.60425482 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
La2NbTi
Pmmm
47
orthorhombic
mmm
7,165.417125
false
[CIF] data_Nb3SnP6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.87145340 _cell_length_b 5.87145340 _cell_length_c 14.06912621 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3SnP6 _chemical_formula_sum 'Nb6 Sn2 P12' _cell_volume 420.03839845 _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 Nb Nb0 1 0.00000000 0.00000000 7.03456311 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 2.93572670 1.69494260 6.81646731 1 Nb Nb3 1 0.00000000 3.38988520 13.85103041 1 Nb Nb4 1 -0.00000000 3.38988520 7.25265890 1 Nb Nb5 1 2.93572670 1.69494260 0.21809580 1 P P6 1 2.02639399 3.34783120 8.62076958 1 P P7 1 1.95894954 0.08099307 8.62076958 1 P P8 1 4.82183657 1.65600353 8.62076958 1 P P9 1 0.90933271 1.73699660 1.58620647 1 P P10 1 0.97677716 5.00383473 1.58620647 1 P P11 1 -1.88610987 3.42882427 1.58620647 1 P P12 1 1.88610987 3.42882427 5.44835663 1 P P13 1 -0.90933271 1.73699660 5.44835663 1 P P14 1 -0.97677716 5.00383473 5.44835663 1 P P15 1 1.04961683 1.65600353 12.48291974 1 P P16 1 3.84505941 3.34783120 12.48291974 1 P P17 1 3.91250386 0.08099307 12.48291974 1 Sn Sn18 1 2.93572670 1.69494260 10.55184466 1 Sn Sn19 1 0.00000000 3.38988520 3.51728155 1 [/CIF]
Nb6P12Sn2
P6_322
182
hexagonal
622
4,611.699634
false
[CIF] data_MgSb2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97252816 _cell_length_b 4.97252816 _cell_length_c 4.97252816 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSb2Pt _chemical_formula_sum 'Mg1 Sb2 Pt1' _cell_volume 86.93942337 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 3.51610838 3.51610838 3.51610838 1 Sb Sb2 1 1.75805419 1.75805419 1.75805419 1 Sb Sb3 1 5.27416257 5.27416257 5.27416257 1 [/CIF]
MgPtSb2
Fm-3m
225
cubic
m-3m
8,841.541029
false
[CIF] data_TaMnCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.92816377 _cell_length_b 2.92816377 _cell_length_c 8.11024271 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaMnCl2 _chemical_formula_sum 'Ta1 Mn1 Cl2' _cell_volume 69.53838128 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.60708504 1 Cl Cl1 1 1.46408188 1.46408188 2.67247777 1 Mn Mn2 1 0.00000000 0.00000000 4.06595242 1 Ta Ta3 1 1.46408188 1.46408188 5.93009155 1 [/CIF]
Cl2MnTa
P4mm
99
tetragonal
4mm
7,326.025821
false
[CIF] data_NaY2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60115667 _cell_length_b 4.97345777 _cell_length_c 6.79168251 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.33975545 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaY2Pb _chemical_formula_sum 'Na1 Y2 Pb1' _cell_volume 120.35409625 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.23660643 0.00000000 3.37217574 1 Pb Pb1 1 0.87594850 2.48672888 5.11375083 1 Y Y2 1 2.47287995 0.00000000 6.59560745 1 Y Y3 1 1.62738035 2.48672888 1.71812371 1 [/CIF]
NaPbY2
Pm
6
monoclinic
m
5,629.242378
false
[CIF] data_YTaHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14491375 _cell_length_b 5.14491375 _cell_length_c 3.33107483 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTaHg2 _chemical_formula_sum 'Y1 Ta1 Hg2' _cell_volume 88.17400876 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.57245687 1.66553742 1 Hg Hg1 1 2.57245687 0.00000000 1.66553742 1 Ta Ta2 1 2.57245687 2.57245687 0.00000000 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hg2TaY
P4/mmm
123
tetragonal
4/mmm
12,637.258296
false
[CIF] data_SrTlAgAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27211239 _cell_length_b 5.27211239 _cell_length_c 5.27211239 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTlAgAu _chemical_formula_sum 'Sr1 Tl1 Ag1 Au1' _cell_volume 103.61890084 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 5.59191963 5.59191963 5.59191963 1 Au Au1 1 1.86397321 1.86397321 1.86397321 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 3.72794642 3.72794642 3.72794642 1 [/CIF]
AgAuSrTl
F-43m
216
cubic
-43m
9,564.596053
false
[CIF] data_MgNbZnTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50603496 _cell_length_b 4.50603496 _cell_length_c 4.50603496 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgNbZnTc _chemical_formula_sum 'Mg1 Nb1 Zn1 Tc1' _cell_volume 64.69469567 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 3.18624788 3.18624788 3.18624788 1 Tc Tc2 1 1.59312394 1.59312394 1.59312394 1 Zn Zn3 1 4.77937182 4.77937182 4.77937182 1 [/CIF]
MgNbTcZn
F-43m
216
cubic
-43m
7,225.286771
false
[CIF] data_Hf5Sc4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.61850734 _cell_length_b 8.61850734 _cell_length_c 6.32520231 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf5Sc4 _chemical_formula_sum 'Hf10 Sc8' _cell_volume 406.88264293 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 2.92923121 0.00000000 4.74390173 1 Hf Hf1 1 -1.46461561 2.53678864 4.74390173 1 Hf Hf2 1 2.84463806 4.92705765 4.74390173 1 Hf Hf3 1 5.68927612 0.00000000 1.58130058 1 Hf Hf4 1 -2.84463806 4.92705765 1.58130058 1 Hf Hf5 1 1.46461561 2.53678864 1.58130058 1 Hf Hf6 1 0.00000000 4.97589753 3.16260116 1 Hf Hf7 1 4.30925367 2.48794877 0.00000000 1 Hf Hf8 1 4.30925367 2.48794877 3.16260116 1 Hf Hf9 1 -0.00000000 4.97589753 0.00000000 1 Sc Sc10 1 0.00000000 0.00000000 3.16260116 1 Sc Sc11 1 0.00000000 0.00000000 0.00000000 1 Sc Sc12 1 5.75351977 0.00000000 4.74390173 1 Sc Sc13 1 -2.87675989 4.98269428 4.74390173 1 Sc Sc14 1 1.43249378 2.48115201 4.74390173 1 Sc Sc15 1 2.86498756 0.00000000 1.58130058 1 Sc Sc16 1 -1.43249378 2.48115201 1.58130058 1 Sc Sc17 1 2.87675989 4.98269428 1.58130058 1 [/CIF]
Hf10Sc8
P6_3/mcm
193
hexagonal
6/mmm
8,752.166326
false
[CIF] data_AlSe2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.11945140 _cell_length_b 7.11945140 _cell_length_c 2.73109287 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 137.10468306 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlSe2Cl _chemical_formula_sum 'Al1 Se2 Cl1' _cell_volume 94.22375124 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cl Cl1 1 2.60323529 -0.00000000 0.00000000 1 Se Se2 1 1.30161765 -3.31322178 1.36554643 1 Se Se3 1 1.30161765 3.31322178 1.36554643 1 [/CIF]
AlClSe2
Cmmm
65
orthorhombic
mmm
3,883.38731
false
[CIF] data_ReOs2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88828823 _cell_length_b 2.88828823 _cell_length_c 7.19057144 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReOs2Se _chemical_formula_sum 'Re1 Os2 Se1' _cell_volume 59.98524906 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.44414412 1.44414412 1.80396596 1 Os Os1 1 1.44414412 1.44414412 5.38660548 1 Re Re2 1 0.00000000 0.00000000 3.59528572 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Os2ReSe
P4/mmm
123
tetragonal
4/mmm
17,872.541546
false
[CIF] data_Hf2TiP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31316193 _cell_length_b 3.31316193 _cell_length_c 6.57281653 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2TiP _chemical_formula_sum 'Hf2 Ti1 P1' _cell_volume 72.15008294 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.43090074 1 Hf Hf1 1 1.65658097 1.65658097 1.87325587 1 P P2 1 0.00000000 0.00000000 3.51030410 1 Ti Ti3 1 1.65658097 1.65658097 4.61758062 1 [/CIF]
Hf2PTi
P4mm
99
tetragonal
4mm
10,030.444763
false
[CIF] data_MnCoSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.56452054 _cell_length_b 2.56452054 _cell_length_c 7.18734630 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCoSi2 _chemical_formula_sum 'Mn1 Co1 Si2' _cell_volume 47.26949195 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 1.28226027 1.28226027 3.59778697 1 Mn Mn1 1 0.00000000 0.00000000 5.32116060 1 Si Si2 1 1.28226027 1.28226027 7.00977795 1 Si Si3 1 0.00000000 0.00000000 2.03964023 1 [/CIF]
CoMnSi2
P4mm
99
tetragonal
4mm
5,973.493701
false
[CIF] data_ZrAlTcIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54035517 _cell_length_b 4.54035517 _cell_length_c 4.54035517 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAlTcIr _chemical_formula_sum 'Zr1 Al1 Tc1 Ir1' _cell_volume 66.18422429 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 3.21051593 3.21051593 3.21051593 1 Tc Tc2 1 4.81577390 4.81577390 4.81577390 1 Zr Zr3 1 1.60525796 1.60525796 1.60525797 1 [/CIF]
AlIrTcZr
F-43m
216
cubic
-43m
10,269.915056
false
[CIF] data_FeSiCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42422388 _cell_length_b 4.42422388 _cell_length_c 6.47811192 _cell_angle_alpha 105.31921225 _cell_angle_beta 105.31921225 _cell_angle_gamma 43.66548620 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeSiCl2 _chemical_formula_sum 'Fe1 Si1 Cl2' _cell_volume 83.92857529 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 -1.30462722 -0.00000000 5.73394935 1 Cl Cl1 1 6.51472017 -0.00000000 2.04993811 1 Fe Fe2 1 2.42881878 -0.00000000 3.77487780 1 Si Si3 1 0.07240854 -0.00000000 3.96672982 1 [/CIF]
Cl2FeSi
Cm
8
monoclinic
m
3,063.462668
false
[CIF] data_SnBi2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64158549 _cell_length_b 4.64158549 _cell_length_c 4.63869216 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnBi2Rh _chemical_formula_sum 'Sn1 Bi2 Rh1' _cell_volume 99.93744908 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.32079274 0.00000000 2.31934608 1 Bi Bi1 1 0.00000000 2.32079274 2.31934608 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 2.32079274 2.32079274 0.00000000 1 [/CIF]
Bi2RhSn
P4/mmm
123
tetragonal
4/mmm
10,627.061647
false
[CIF] data_FeW2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.68610747 _cell_length_b 4.36679336 _cell_length_c 5.34121240 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.91844441 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeW2Au _chemical_formula_sum 'Fe1 W2 Au1' _cell_volume 61.71431062 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.55038012 2.18339668 2.65423529 1 Fe Fe1 1 0.12457843 0.00000000 4.06086005 1 W W2 1 -0.82127679 2.18339668 5.15406868 1 W W3 1 1.87547041 0.00000000 1.28429162 1 [/CIF]
AuFeW2
Pm
6
monoclinic
m
16,695.487328
false
[CIF] data_YSc3Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31045591 _cell_length_b 5.31045591 _cell_length_c 5.31045591 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YSc3Te _chemical_formula_sum 'Y1 Sc3 Te1' _cell_volume 149.75985896 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Y Y0 1 0.00000000 0.00000000 0.00000000 1 Sc Sc1 1 0.00000000 2.65522795 0.00000000 1 Sc Sc2 1 0.00000000 0.00000000 2.65522795 1 Sc Sc3 1 2.65522795 0.00000000 0.00000000 1 Te Te4 1 2.65522795 2.65522795 2.65522795 1 [/CIF]
Sc3TeY
Pm-3m
221
cubic
m-3m
3,896.034428
false
[CIF] data_MgHg4Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.14279514 _cell_length_b 6.14279514 _cell_length_c 6.14279514 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgHg4Cl _chemical_formula_sum 'Mg1 Hg4 Cl1' _cell_volume 163.90156427 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 2.17180605 2.17180605 2.17180605 1 Hg Hg1 1 3.25812406 3.25812406 5.42910014 1 Hg Hg2 1 3.25812406 5.42910014 3.25812406 1 Hg Hg3 1 5.42910014 3.25812406 3.25812406 1 Hg Hg4 1 5.42910014 5.42910014 5.42910014 1 Mg Mg5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
ClHg4Mg
F-43m
216
cubic
-43m
8,734.392655
false
[CIF] data_Ta2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87510009 _cell_length_b 4.53212600 _cell_length_c 7.98562623 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.13506517 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2Mo _chemical_formula_sum 'Ta4 Mo2' _cell_volume 104.05494306 _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 Mo Mo0 1 1.90774068 0.00000000 2.68661023 1 Mo Mo1 1 0.94853466 0.00000000 5.29899382 1 Ta Ta2 1 -0.00941238 2.26606300 3.99280202 1 Ta Ta3 1 1.84109516 2.26606300 6.62024252 1 Ta Ta4 1 0.00000000 0.00000000 0.00000000 1 Ta Ta5 1 1.01518017 2.26606300 1.36536153 1 [/CIF]
Mo2Ta4
P2/m
10
monoclinic
2/m
14,613.190955
false
[CIF] data_AlCdTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02936184 _cell_length_b 4.02936184 _cell_length_c 5.64840044 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCdTe _chemical_formula_sum 'Al1 Cd1 Te1' _cell_volume 79.41977408 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.56332757 1 Cd Cd1 1 0.00000000 2.32635314 1.70215152 1 Te Te2 1 2.01468092 1.16317657 4.03132180 1 [/CIF]
AlCdTe
P3m1
156
trigonal
3m
5,582.382293
false
[CIF] data_Ni2SnGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45419999 _cell_length_b 4.45419999 _cell_length_c 4.45419999 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2SnGe _chemical_formula_sum 'Ni2 Sn1 Ge1' _cell_volume 62.48764262 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.14959502 3.14959502 3.14959502 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 4.72439253 4.72439253 4.72439253 1 Sn Sn3 1 1.57479751 1.57479751 1.57479751 1 [/CIF]
GeNi2Sn
F-43m
216
cubic
-43m
8,204.334429
false
[CIF] data_TlAsOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84680862 _cell_length_b 3.76103038 _cell_length_c 7.51423973 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlAsOs2 _chemical_formula_sum 'Tl1 As1 Os2' _cell_volume 80.45446664 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.26631507 1 Os Os1 1 1.42340431 1.88051519 0.21807270 1 Os Os2 1 0.00000000 0.00000000 1.33317626 1 Tl Tl3 1 1.42340431 1.88051519 3.45379563 1 [/CIF]
AsOs2Tl
Pmm2
25
orthorhombic
mm2
13,617.210293
false
[CIF] data_Sc2AlTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24957980 _cell_length_b 5.24957980 _cell_length_c 5.24957980 _cell_angle_alpha 128.40532031 _cell_angle_beta 128.40532031 _cell_angle_gamma 75.96933916 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2AlTe _chemical_formula_sum 'Sc2 Al1 Te1' _cell_volume 86.37994793 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.28456095 -0.00000000 2.06879498 1 Sc Sc2 1 -0.00000000 2.28456095 2.06879498 1 Te Te3 1 0.00000000 -0.00000000 4.13758995 1 [/CIF]
AlSc2Te
I4/mmm
139
tetragonal
4/mmm
4,700.058172
false
[CIF] data_CrHg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55808796 _cell_length_b 3.55808796 _cell_length_c 6.94471471 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrHg3 _chemical_formula_sum 'Cr1 Hg3' _cell_volume 87.92001830 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 0.00000000 0.00000000 3.47235735 1 Hg Hg2 1 1.77904398 1.77904398 1.57838080 1 Hg Hg3 1 1.77904398 1.77904398 5.36633391 1 [/CIF]
CrHg3
P4/mmm
123
tetragonal
4/mmm
12,347.633342
false
[CIF] data_LiLa2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.84784642 _cell_length_b 6.84784642 _cell_length_c 6.84784642 _cell_angle_alpha 149.49544230 _cell_angle_beta 138.62762547 _cell_angle_gamma 52.26439396 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiLa2Ir _chemical_formula_sum 'Li1 La2 Ir1' _cell_volume 107.16279479 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 1.80146013 -0.00000000 3.05026751 1 La La1 1 -0.00000000 0.00000000 5.42289479 1 La La2 1 -0.00000000 2.41899708 2.94262449 1 Li Li3 1 0.00000000 -0.00000000 0.87993535 1 [/CIF]
IrLa2Li
Imm2
44
orthorhombic
mm2
7,390.911207
false
[CIF] data_YFeCuHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76760939 _cell_length_b 4.76760939 _cell_length_c 4.76760939 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YFeCuHg _chemical_formula_sum 'Y1 Fe1 Cu1 Hg1' _cell_volume 76.62791374 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68560446 1.68560446 1.68560446 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Hg Hg2 1 5.05681339 5.05681339 5.05681339 1 Y Y3 1 3.37120893 3.37120893 3.37120893 1 [/CIF]
CuFeHgY
F-43m
216
cubic
-43m
8,860.64301
false
[CIF] data_NpH _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.37163244 _cell_length_b 3.37163244 _cell_length_c 3.37163244 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NpH _chemical_formula_sum 'Np1 H1' _cell_volume 27.10227030 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy H H0 1 0.00000000 0.00000000 0.00000000 1 Np Np1 1 2.38410416 2.38410416 2.38410416 1 [/CIF]
HNp
Fm-3m
225
cubic
m-3m
14,582.59689
false
[CIF] data_KV5ZnO22 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.72652100 _cell_length_b 10.70111683 _cell_length_c 11.28806546 _cell_angle_alpha 68.83844047 _cell_angle_beta 83.22351725 _cell_angle_gamma 76.55561356 _symmetry_Int_Tables_number 1 _chemical_formula_structural KV5ZnO22 _chemical_formula_sum 'K2 V10 Zn2 O44' _cell_volume 955.42246833 _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 K K0 1 6.88697640 1.60656459 2.51822818 1 K K1 1 5.65952060 12.67269041 8.00121382 1 V V2 1 6.53506061 4.29531825 5.89505322 1 V V3 1 6.01143639 9.98393675 4.62438878 1 V V4 1 6.95828145 5.67793341 2.83098171 1 V V5 1 5.58821555 8.60132159 7.68846029 1 V V6 1 7.35673794 6.03524219 8.46809821 1 V V7 1 5.18975906 8.24401281 2.05134379 1 V V8 1 7.83463258 7.12011459 5.44818732 1 V V9 1 4.71186442 7.15914041 5.07125468 1 V V10 1 8.25623122 8.67263246 2.79148121 1 V V11 1 4.29026578 5.60662254 7.72796079 1 Zn Zn12 1 9.48549800 8.70676762 7.45122583 1 Zn Zn13 1 3.06099900 5.57248738 3.06821617 1 O O14 1 7.12614767 9.11054610 6.27202794 1 O O15 1 5.42034933 5.16870890 4.24741406 1 O O16 1 6.85118761 7.87184946 8.71036096 1 O O17 1 5.69530939 6.40740554 1.80908104 1 O O18 1 6.46926137 7.64910769 4.13578174 1 O O19 1 6.07723563 6.63014731 6.38366026 1 O O20 1 6.87048784 8.80300852 1.59608338 1 O O21 1 5.67600916 5.47624648 8.92335862 1 O O22 1 7.60209191 10.14035049 3.75256899 1 O O23 1 4.94440509 4.13890451 6.76687301 1 O O24 1 6.84483346 2.83229031 5.24662429 1 O O25 1 5.70166354 11.44696469 5.27281771 1 O O26 1 7.28484009 4.20851375 2.20076194 1 O O27 1 5.26165691 10.07074125 8.31868006 1 O O28 1 7.57037598 4.52280638 7.33323977 1 O O29 1 4.97612102 9.75644862 3.18620223 1 O O30 1 7.79906452 5.45247067 4.73166605 1 O O31 1 4.74743248 8.82678433 5.78777595 1 O O32 1 8.32845132 6.76845058 2.34764491 1 O O33 1 4.21804568 7.51080442 8.17179709 1 O O34 1 8.27335602 5.75053961 9.77235123 1 O O35 1 4.27314098 8.52871539 0.74709077 1 O O36 1 8.61372250 6.93392750 7.05562118 1 O O37 1 3.93277450 7.34532750 3.46382082 1 O O38 1 9.01139033 8.00283228 4.56370212 1 O O39 1 3.53510667 6.27642272 5.95573988 1 O O40 1 9.55448647 9.31943962 2.05813935 1 O O41 1 2.99201053 4.95981538 8.46130265 1 O O42 1 8.14492996 10.87232395 9.56192031 1 O O43 1 4.40156704 3.40693105 0.95752169 1 O O44 1 8.20357276 9.92371643 6.76813535 1 O O45 1 4.34292424 4.35553857 3.75130665 1 O O46 1 8.32341476 12.05165859 9.24749419 1 O O47 1 4.22308224 2.22759641 1.27194781 1 O O48 1 10.85838414 8.07550388 8.51786569 1 O O49 1 1.68811286 6.20375112 2.00157631 1 O O50 1 11.19444329 11.09809487 9.56074213 1 O O51 1 1.35205371 3.18116013 0.95869987 1 O O52 1 11.12725656 10.89892375 6.10433752 1 O O53 1 1.41924044 3.38033125 4.41510448 1 O O54 1 11.29663472 10.85345916 4.88371407 1 O O55 1 1.24986228 3.42579584 5.63572793 1 O O56 1 11.57833111 12.25669368 9.40052051 1 O O57 1 0.96816589 2.02256132 1.11892149 1 [/CIF]
K2O44V10Zn2
P-1
2
triclinic
-1
2,472.058015
true
[CIF] data_HfRe3Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92843629 _cell_length_b 4.92843629 _cell_length_c 4.92843629 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfRe3Br _chemical_formula_sum 'Hf1 Re3 Br1' _cell_volume 119.70917571 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Re Re0 1 2.46421815 0.00000000 2.46421815 1 Re Re1 1 2.46421815 2.46421815 0.00000000 1 Re Re2 1 0.00000000 2.46421815 2.46421815 1 Hf Hf3 1 2.46421815 2.46421815 2.46421815 1 Br Br4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrHfRe3
Pm-3m
221
cubic
m-3m
11,333.177406
false
[CIF] data_MgNbTlPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28300016 _cell_length_b 5.28300016 _cell_length_c 5.28300016 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgNbTlPb _chemical_formula_sum 'Mg1 Nb1 Tl1 Pb1' _cell_volume 104.26219754 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 5.60346786 5.60346786 5.60346786 1 Pb Pb2 1 1.86782262 1.86782262 1.86782262 1 Tl Tl3 1 3.73564524 3.73564524 3.73564524 1 [/CIF]
MgNbPbTl
F-43m
216
cubic
-43m
8,421.884874
false
[CIF] data_CdBiTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59464971 _cell_length_b 3.59464971 _cell_length_c 9.85375312 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.63274438 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdBiTe2 _chemical_formula_sum 'Cd1 Bi1 Te2' _cell_volume 121.34329903 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.12219152 0.00000000 4.78743561 1 Cd Cd1 1 0.00000000 0.00000000 2.44401752 1 Te Te2 1 2.12219152 0.00000000 0.43821532 1 Te Te3 1 0.00000000 0.00000000 7.11096123 1 [/CIF]
BiCdTe2
Cmm2
35
orthorhombic
mm2
7,890.444325
false
[CIF] data_HfBi4Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.20903111 _cell_length_b 6.20903111 _cell_length_c 6.20903111 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBi4Os _chemical_formula_sum 'Hf1 Bi4 Os1' _cell_volume 169.26084669 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.29430291 3.29430291 5.48659309 1 Bi Bi1 1 3.29430291 5.48659309 3.29430291 1 Bi Bi2 1 5.48659309 3.29430291 3.29430291 1 Bi Bi3 1 5.48659309 5.48659309 5.48659309 1 Hf Hf4 1 0.00000000 0.00000000 0.00000000 1 Os Os5 1 2.19522400 2.19522400 2.19522400 1 [/CIF]
Bi4HfOs
F-43m
216
cubic
-43m
11,818.175775
false
[CIF] data_BiPtRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60844193 _cell_length_b 4.60844193 _cell_length_c 4.60844193 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiPtRh2 _chemical_formula_sum 'Bi1 Pt1 Rh2' _cell_volume 69.20657562 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62933027 1.62933027 1.62933027 1 Pt Pt1 1 3.25866054 3.25866054 3.25866054 1 Rh Rh2 1 4.88799081 4.88799081 4.88799081 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiPtRh2
F-43m
216
cubic
-43m
14,633.319427
false
[CIF] data_KSrHfZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49140514 _cell_length_b 5.49140514 _cell_length_c 5.49140514 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSrHfZn _chemical_formula_sum 'K1 Sr1 Hf1 Zn1' _cell_volume 117.09422025 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.94150491 1.94150491 1.94150491 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 5.82451471 5.82451471 5.82451471 1 Zn Zn3 1 3.88300981 3.88300981 3.88300981 1 [/CIF]
HfKSrZn
F-43m
216
cubic
-43m
5,255.394745
false
[CIF] data_V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.55876820 _cell_length_b 2.55876820 _cell_length_c 2.55876820 _cell_angle_alpha 67.50900700 _cell_angle_beta 67.50900700 _cell_angle_gamma 67.50900700 _symmetry_Int_Tables_number 1 _chemical_formula_structural V _chemical_formula_sum V1 _cell_volume 13.74309943 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy V V0 1 0.00000000 -0.00000000 -0.00000000 1 [/CIF]
V2
R-3m
166
trigonal
-3m
6,155.114523
false
[CIF] data_Sr2NbBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29753010 _cell_length_b 5.29753010 _cell_length_c 4.65832322 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2NbBi _chemical_formula_sum 'Sr2 Nb1 Bi1' _cell_volume 130.73036839 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.64876505 2.64876505 0.00000000 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 0.00000000 2.64876505 2.32916161 1 Sr Sr3 1 2.64876505 0.00000000 2.32916161 1 [/CIF]
BiNbSr2
P4/mmm
123
tetragonal
4/mmm
6,060.471394
false
[CIF] data_Hf _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19869494 _cell_length_b 3.19869494 _cell_length_c 5.06161124 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf _chemical_formula_sum Hf2 _cell_volume 44.85027028 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 -0.00000000 1.84676739 1.26540281 1 Hf Hf1 1 1.59934747 0.92338369 3.79620843 1 [/CIF]
Hf2
P6_3/mmc
194
hexagonal
6/mmm
13,216.848686
false
[CIF] data_BaTcIrAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98767819 _cell_length_b 4.98767819 _cell_length_c 4.98767819 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTcIrAu _chemical_formula_sum 'Ba1 Tc1 Ir1 Au1' _cell_volume 87.73649400 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.29023161 5.29023161 5.29023161 1 Ba Ba1 1 3.52682107 3.52682107 3.52682107 1 Ir Ir2 1 1.76341054 1.76341054 1.76341054 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuBaIrTc
F-43m
216
cubic
-43m
11,836.909939
false
[CIF] data_Nb2AlW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.96551577 _cell_length_b 9.96551577 _cell_length_c 9.96551577 _cell_angle_alpha 16.45660419 _cell_angle_beta 16.45660419 _cell_angle_gamma 16.45660419 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2AlW _chemical_formula_sum 'Nb2 Al1 W1' _cell_volume 69.25715030 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 -0.00000000 -0.00000000 22.04519423 1 Nb Nb2 1 0.00000000 -0.00000000 7.44028545 1 W W3 1 -0.00000000 -0.00000000 14.74273984 1 [/CIF]
AlNb2W
R-3m
166
trigonal
-3m
9,509.873637
false
[CIF] data_CaCdTcW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74542106 _cell_length_b 4.74542106 _cell_length_c 4.74542106 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCdTcW _chemical_formula_sum 'Ca1 Cd1 Tc1 W1' _cell_volume 75.56301213 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 3.35551941 3.35551941 3.35551941 1 Tc Tc2 1 1.67775970 1.67775970 1.67775971 1 W W3 1 5.03327912 5.03327912 5.03327912 1 [/CIF]
CaCdTcW
F-43m
216
cubic
-43m
9,564.534716
false
[CIF] data_Sr2PdRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69804896 _cell_length_b 3.69804896 _cell_length_c 7.23191614 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2PdRh _chemical_formula_sum 'Sr2 Pd1 Rh1' _cell_volume 98.90054728 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.61595807 1 Rh Rh1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 1.84902448 1.84902448 1.76527739 1 Sr Sr3 1 1.84902448 1.84902448 5.46663875 1 [/CIF]
PdRhSr2
P4/mmm
123
tetragonal
4/mmm
6,456.979244
false
[CIF] data_TeAuSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.00793590 _cell_length_b 7.00793590 _cell_length_c 7.00793590 _cell_angle_alpha 33.81216481 _cell_angle_beta 33.81216481 _cell_angle_gamma 33.81216481 _symmetry_Int_Tables_number 1 _chemical_formula_structural TeAuSe2 _chemical_formula_sum 'Te1 Au1 Se2' _cell_volume 94.96916675 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 0.00000000 0.00000000 9.90154512 1 Se Se1 1 -0.00000000 0.00000000 15.03345992 1 Se Se2 1 -0.00000000 -0.00000000 4.76963033 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuSe2Te
R-3m
166
trigonal
-3m
8,436.293837
false
[CIF] data_CoSbTe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04307922 _cell_length_b 5.04307922 _cell_length_c 5.04307922 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoSbTe3 _chemical_formula_sum 'Co1 Sb1 Te3' _cell_volume 128.25885874 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sb Sb0 1 2.52153961 2.52153961 2.52153961 1 Te Te1 1 0.00000000 2.52153961 0.00000000 1 Te Te2 1 0.00000000 0.00000000 2.52153961 1 Te Te3 1 2.52153961 0.00000000 0.00000000 1 Co Co4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CoSbTe3
Pm-3m
221
cubic
m-3m
7,295.421722
false
[CIF] data_LaBiPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66269570 _cell_length_b 3.66269570 _cell_length_c 7.01662083 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaBiPd2 _chemical_formula_sum 'La1 Bi1 Pd2' _cell_volume 94.13035262 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.83134785 1.83134785 3.01189537 1 La La1 1 0.00000000 0.00000000 5.65418567 1 Pd Pd2 1 1.83134785 1.83134785 0.18111407 1 Pd Pd3 1 0.00000000 0.00000000 1.67773614 1 [/CIF]
BiLaPd2
P4mm
99
tetragonal
4mm
9,891.678793
false
[CIF] data_VCrPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68775154 _cell_length_b 4.68775154 _cell_length_c 4.70872313 _cell_angle_alpha 99.62525799 _cell_angle_beta 99.62525799 _cell_angle_gamma 33.76804345 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCrPt2 _chemical_formula_sum 'V1 Cr1 Pt2' _cell_volume 56.62947612 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.07429383 -0.00000000 2.31814071 1 Pt Pt1 1 6.52732489 -0.00000000 1.17153156 1 Pt Pt2 1 1.62126277 -0.00000000 3.46474985 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CrPt2V
C2/m
12
monoclinic
2/m
14,459.274018
false
[CIF] data_MgCrIrAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42487970 _cell_length_b 4.42487970 _cell_length_c 4.42487970 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCrIrAu _chemical_formula_sum 'Mg1 Cr1 Ir1 Au1' _cell_volume 61.26175093 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.12886244 3.12886244 3.12886244 1 Cr Cr1 1 1.56443122 1.56443122 1.56443122 1 Ir Ir2 1 4.69329366 4.69329366 4.69329366 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuCrIrMg
F-43m
216
cubic
-43m
12,617.260624
false
[CIF] data_CaTi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.86664767 _cell_length_b 6.86664767 _cell_length_c 6.85369637 _cell_angle_alpha 104.56630682 _cell_angle_beta 104.56630682 _cell_angle_gamma 26.13873521 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTi2 _chemical_formula_sum 'Ca2 Ti4' _cell_volume 137.53889200 _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 Ca Ca0 1 12.59697097 -0.00000000 1.44841140 1 Ca Ca1 1 -0.98895191 0.00000000 5.17290813 1 Ti Ti2 1 8.05349369 -0.00000000 3.48559278 1 Ti Ti3 1 2.26847222 0.00000000 5.65486809 1 Ti Ti4 1 9.33954683 -0.00000000 0.96645144 1 Ti Ti5 1 3.55452537 -0.00000000 3.13572675 1 [/CIF]
Ca2Ti4
C2/m
12
monoclinic
2/m
3,279.379795
false
[CIF] data_TaCoTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.70074857 _cell_length_b 2.70074857 _cell_length_c 7.94648794 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCoTc2 _chemical_formula_sum 'Ta1 Co1 Tc2' _cell_volume 57.96202345 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ta Ta1 1 0.00000000 0.00000000 3.97324397 1 Tc Tc2 1 1.35037429 1.35037429 6.21891789 1 Tc Tc3 1 1.35037429 1.35037429 1.72757005 1 [/CIF]
CoTaTc2
P4/mmm
123
tetragonal
4/mmm
12,539.367524
false
[CIF] data_SiTc2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30263849 _cell_length_b 4.30263849 _cell_length_c 4.30263849 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiTc2Se _chemical_formula_sum 'Si1 Tc2 Se1' _cell_volume 56.32349224 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Se Se0 1 3.04242485 3.04242485 3.04242485 1 Si Si1 1 -0.00000000 -0.00000000 0.00000000 1 Tc Tc2 1 4.56363728 4.56363728 4.56363728 1 Tc Tc3 1 1.52121243 1.52121243 1.52121243 1 [/CIF]
SeSiTc2
Fm-3m
225
cubic
m-3m
8,987.874022
false
[CIF] data_NaZrScCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92028214 _cell_length_b 4.92028214 _cell_length_c 4.92028214 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZrScCu _chemical_formula_sum 'Na1 Zr1 Sc1 Cu1' _cell_volume 84.22771601 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.21874731 5.21874731 5.21874731 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Sc Sc2 1 3.47916487 3.47916487 3.47916487 1 Zr Zr3 1 1.73958244 1.73958244 1.73958244 1 [/CIF]
CuNaScZr
F-43m
216
cubic
-43m
4,390.812277
false
[CIF] data_NiTeO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.82203826 _cell_length_b 3.82203826 _cell_length_c 3.82203826 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiTeO3 _chemical_formula_sum 'Ni1 Te1 O3' _cell_volume 55.83224493 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 O O1 1 1.91101913 0.00000000 0.00000000 1 O O2 1 0.00000000 1.91101913 0.00000000 1 O O3 1 0.00000000 0.00000000 1.91101913 1 Te Te4 1 1.91101913 1.91101913 1.91101913 1 [/CIF]
NiO3Te
Pm-3m
221
cubic
m-3m
6,968.201892
false
[CIF] data_GaRe2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.99679531 _cell_length_b 2.99679531 _cell_length_c 8.26887201 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaRe2Te _chemical_formula_sum 'Ga1 Re2 Te1' _cell_volume 74.26093798 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.68424456 1 Re Re1 1 1.49839765 1.49839765 0.15850163 1 Re Re2 1 0.00000000 0.00000000 1.73951723 1 Te Te3 1 1.49839765 1.49839765 3.82104460 1 [/CIF]
GaRe2Te
P4mm
99
tetragonal
4mm
12,739.814119
false
[CIF] data_Zr2RhW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31538171 _cell_length_b 5.31538171 _cell_length_c 5.31538171 _cell_angle_alpha 142.88593708 _cell_angle_beta 124.32799126 _cell_angle_gamma 68.81592551 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2RhW _chemical_formula_sum 'Zr2 Rh1 W1' _cell_volume 73.64874362 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 0.00000000 1 W W1 1 -0.00000000 0.00000000 4.38537581 1 Zr Zr2 1 1.69161198 0.00000000 2.12941711 1 Zr Zr3 1 -0.00000000 2.48197717 2.25595870 1 [/CIF]
RhWZr2
Immm
71
orthorhombic
mmm
10,578.783809
false
[CIF] data_LiBeVCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02182267 _cell_length_b 4.02182267 _cell_length_c 4.02182267 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiBeVCu _chemical_formula_sum 'Li1 Be1 V1 Cu1' _cell_volume 45.99956813 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.26578712 4.26578712 4.26578712 1 Cu Cu1 1 2.84385808 2.84385808 2.84385808 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 1.42192904 1.42192904 1.42192904 1 [/CIF]
BeCuLiV
F-43m
216
cubic
-43m
4,708.780041
false
[CIF] data_Tc2SnPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50104464 _cell_length_b 4.50104464 _cell_length_c 4.50104464 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc2SnPd _chemical_formula_sum 'Tc2 Sn1 Pd1' _cell_volume 64.47999034 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 3.18271919 3.18271919 3.18271919 1 Tc Tc2 1 1.59135960 1.59135960 1.59135960 1 Tc Tc3 1 4.77407879 4.77407879 4.77407879 1 [/CIF]
PdSnTc2
Fm-3m
225
cubic
m-3m
10,891.94298
false
[CIF] data_Ca2LaTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72873629 _cell_length_b 5.72873629 _cell_length_c 5.72873629 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2LaTe _chemical_formula_sum 'Ca2 La1 Te1' _cell_volume 132.94178185 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 2.02541414 2.02541414 2.02541414 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 La La2 1 6.07624242 6.07624242 6.07624242 1 Te Te3 1 4.05082828 4.05082828 4.05082828 1 [/CIF]
Ca2LaTe
F-43m
216
cubic
-43m
4,330.052643
false
[CIF] data_Au2N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97920818 _cell_length_b 4.97920818 _cell_length_c 3.91278780 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Au2N _chemical_formula_sum 'Au4 N2' _cell_volume 97.00784670 _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 Au Au0 1 1.54154286 1.54154286 0.00000000 1 Au Au1 1 3.43766532 3.43766532 0.00000000 1 Au Au2 1 4.03114695 0.94806123 1.95639390 1 Au Au3 1 0.94806123 4.03114695 1.95639390 1 N N4 1 0.00000000 0.00000000 0.00000000 1 N N5 1 2.48960409 2.48960409 1.95639390 1 [/CIF]
Au4N2
P4_2/mnm
136
tetragonal
4/mmm
13,965.881336
false
[CIF] data_ScCuTcRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44290099 _cell_length_b 4.44290099 _cell_length_c 4.44290099 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCuTcRh _chemical_formula_sum 'Sc1 Cu1 Tc1 Rh1' _cell_volume 62.01330936 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.71240813 4.71240813 4.71240813 1 Rh Rh1 1 1.57080271 1.57080271 1.57080271 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 3.14160542 3.14160542 3.14160542 1 [/CIF]
CuRhScTc
F-43m
216
cubic
-43m
8,309.311032
false
[CIF] data_Sr2AgCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52752471 _cell_length_b 4.52752471 _cell_length_c 6.48411567 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2AgCl _chemical_formula_sum 'Sr2 Ag1 Cl1' _cell_volume 132.91451538 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 2.26376235 2.26376235 3.24205784 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 2.26376235 2.26376235 0.00000000 1 Sr Sr3 1 0.00000000 0.00000000 3.24205784 1 [/CIF]
AgClSr2
P4/mmm
123
tetragonal
4/mmm
3,980.099327
false
[CIF] data_CaCdOsPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73223752 _cell_length_b 4.73223752 _cell_length_c 4.73223752 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCdOsPt _chemical_formula_sum 'Ca1 Cd1 Os1 Pt1' _cell_volume 74.93498171 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 5.01929586 5.01929586 5.01929586 1 Os Os2 1 1.67309862 1.67309862 1.67309862 1 Pt Pt3 1 3.34619724 3.34619724 3.34619724 1 [/CIF]
CaCdOsPt
F-43m
216
cubic
-43m
11,917.570022
false
[CIF] data_TaMnOsPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56200360 _cell_length_b 4.56200360 _cell_length_c 4.56200360 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaMnOsPb _chemical_formula_sum 'Ta1 Mn1 Os1 Pb1' _cell_volume 67.13544510 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 4.83873552 4.83873552 4.83873552 1 Pb Pb2 1 1.61291184 1.61291184 1.61291184 1 Ta Ta3 1 3.22582368 3.22582368 3.22582368 1 [/CIF]
MnOsPbTa
F-43m
216
cubic
-43m
15,664.53955
false
[CIF] data_InTc2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29117170 _cell_length_b 5.29117170 _cell_length_c 2.79666018 _cell_angle_alpha 102.46388568 _cell_angle_beta 102.46388568 _cell_angle_gamma 114.24857717 _symmetry_Int_Tables_number 1 _chemical_formula_structural InTc2W _chemical_formula_sum 'In1 Tc2 W1' _cell_volume 65.50340311 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tc Tc1 1 0.88009793 2.22189541 1.28305062 1 Tc Tc2 1 0.88009793 -2.22189540 1.28305062 1 W W3 1 2.87214574 0.00000000 0.00000000 1 [/CIF]
InTc2W
C2/m
12
monoclinic
2/m
12,585.735327
false
[CIF] data_NaScMn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77194018 _cell_length_b 4.77194018 _cell_length_c 4.77194018 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaScMn2 _chemical_formula_sum 'Na1 Sc1 Mn2' _cell_volume 76.83692468 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.37427126 3.37427126 3.37427126 1 Mn Mn1 1 1.68713563 1.68713563 1.68713563 1 Na Na2 1 -0.00000000 -0.00000000 -0.00000000 1 Sc Sc3 1 5.06140689 5.06140689 5.06140689 1 [/CIF]
Mn2NaSc
F-43m
216
cubic
-43m
3,842.943993
false
[CIF] data_LaCuReOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63948116 _cell_length_b 4.63948116 _cell_length_c 4.63948116 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCuReOs _chemical_formula_sum 'La1 Cu1 Re1 Os1' _cell_volume 70.61439602 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 4.92091289 4.92091289 4.92091289 1 Os Os2 1 1.64030430 1.64030430 1.64030429 1 Re Re3 1 3.28060859 3.28060859 3.28060859 1 [/CIF]
CuLaOsRe
F-43m
216
cubic
-43m
13,612.902947
false
[CIF] data_FeGeAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08455125 _cell_length_b 3.08455125 _cell_length_c 5.51855184 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeGeAs _chemical_formula_sum 'Fe1 Ge1 As1' _cell_volume 45.47154787 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.54227564 0.89043324 0.23660609 1 Fe Fe1 1 0.00000000 0.00000000 1.79662774 1 Ge Ge2 1 0.00000002 1.78086648 3.48531807 1 [/CIF]
AsFeGe
P3m1
156
trigonal
3m
7,428.042852
false
[CIF] data_ZrVPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02627930 _cell_length_b 5.02627930 _cell_length_c 5.02627930 _cell_angle_alpha 133.06215876 _cell_angle_beta 133.06215876 _cell_angle_gamma 68.55654812 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrVPt2 _chemical_formula_sum 'Zr1 V1 Pt2' _cell_volume 66.56697754 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.15327449 1 Pt Pt1 1 0.00000000 2.00172358 2.07663725 1 V V2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 2.00172358 0.00000000 2.07663725 1 [/CIF]
Pt2VZr
I-4m2
119
tetragonal
-42m
13,279.454929
false
[CIF] data_BaIn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90186067 _cell_length_b 4.90186067 _cell_length_c 7.04147398 _cell_angle_alpha 105.64380781 _cell_angle_beta 105.64380781 _cell_angle_gamma 55.26302783 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaIn3 _chemical_formula_sum 'Ba1 In3' _cell_volume 132.44293277 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.27119005 0.00000000 3.35369172 1 In In1 1 0.00000000 0.00000000 0.00000000 1 In In2 1 6.08478506 -0.00000000 1.06631956 1 In In3 1 0.45759504 -0.00000000 5.64106387 1 [/CIF]
BaIn3
C2/m
12
monoclinic
2/m
6,040.459504
false
[CIF] data_AlMoPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83426430 _cell_length_b 2.83426430 _cell_length_c 6.62261160 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlMoPt _chemical_formula_sum 'Al1 Mo1 Pt1' _cell_volume 46.07237618 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.57766367 1 Mo Mo1 1 0.00000000 1.63636326 2.19604085 1 Pt Pt2 1 1.41713215 0.81818163 4.47151868 1 [/CIF]
AlMoPt
P3m1
156
trigonal
3m
11,462.266012
false
[CIF] data_CrCdMoOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42287233 _cell_length_b 4.42287233 _cell_length_c 4.42287233 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrCdMoOs _chemical_formula_sum 'Cr1 Cd1 Mo1 Os1' _cell_volume 61.17841389 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.12744302 3.12744302 3.12744302 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 4.69116453 4.69116453 4.69116453 1 Os Os3 1 1.56372151 1.56372151 1.56372151 1 [/CIF]
CdCrMoOs
F-43m
216
cubic
-43m
12,230.361009
false
[CIF] data_PdPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88069894 _cell_length_b 4.57472493 _cell_length_c 5.52765318 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PdPt _chemical_formula_sum 'Pd4 Pt4' _cell_volume 123.42063934 _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 Pd Pd0 1 0.43200711 1.14368123 0.68738103 1 Pd Pd1 1 2.00834236 3.43104370 3.45120762 1 Pd Pd2 1 2.87235658 1.14368123 2.07644556 1 Pd Pd3 1 4.44869183 3.43104370 4.84027215 1 Pt Pt4 1 0.39937368 1.14368123 3.44609056 1 Pt Pt5 1 2.04097579 3.43104370 0.68226397 1 Pt Pt6 1 2.83972315 1.14368123 4.84538921 1 Pt Pt7 1 4.48132526 3.43104370 2.08156262 1 [/CIF]
Pd4Pt4
Pnma
62
orthorhombic
mmm
16,226.108483
false
[CIF] data_VFePt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.70680807 _cell_length_b 4.28731383 _cell_length_c 4.71073652 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VFePt2 _chemical_formula_sum 'V1 Fe1 Pt2' _cell_volume 54.66779431 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.14365692 0.99860543 1 Pt Pt1 1 1.35340404 0.00000000 0.26804209 1 Pt Pt2 1 1.35340404 2.14365692 3.31746242 1 V V3 1 0.00000000 0.00000000 2.48199484 1 [/CIF]
FePt2V
Pmm2
25
orthorhombic
mm2
15,095.042315
false
[CIF] data_TiBeRu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03518431 _cell_length_b 5.03518431 _cell_length_c 5.03518431 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiBeRu4 _chemical_formula_sum 'Ti1 Be1 Ru4' _cell_volume 90.26743854 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 4.45358937 4.45358937 2.66723657 1 Ru Ru2 1 4.45358937 2.66723657 4.45358937 1 Ru Ru3 1 2.66723657 4.45358937 4.45358937 1 Ru Ru4 1 2.66723657 2.66723657 2.66723657 1 Ti Ti5 1 5.34061946 5.34061946 5.34061946 1 [/CIF]
BeRu4Ti
F-43m
216
cubic
-43m
8,483.378392
false
[CIF] data_Ta2VNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76730474 _cell_length_b 2.76730474 _cell_length_c 8.06056446 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2VNi _chemical_formula_sum 'Ta2 V1 Ni1' _cell_volume 61.72760534 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.38365237 1.38365237 5.89796741 1 Ta Ta1 1 0.00000000 0.00000000 7.81682363 1 Ta Ta2 1 1.38365237 1.38365237 2.11614233 1 V V3 1 0.00000000 0.00000000 4.32047779 1 [/CIF]
NiTa2V
P4mm
99
tetragonal
4mm
12,684.682609
false
[CIF] data_TaCoPtRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38693366 _cell_length_b 4.38693366 _cell_length_c 4.38693366 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCoPtRh _chemical_formula_sum 'Ta1 Co1 Pt1 Rh1' _cell_volume 59.69915764 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 4.65304581 4.65304581 4.65304581 1 Rh Rh2 1 1.55101527 1.55101527 1.55101527 1 Ta Ta3 1 3.10203054 3.10203054 3.10203054 1 [/CIF]
CoPtRhTa
F-43m
216
cubic
-43m
14,960.933082
false
[CIF] data_CaCuTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.67419273 _cell_length_b 2.67419273 _cell_length_c 9.01264322 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCuTc2 _chemical_formula_sum 'Ca1 Cu1 Tc2' _cell_volume 64.45217641 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Cu Cu1 1 0.00000000 0.00000000 4.50632161 1 Tc Tc2 1 1.33709637 1.33709637 6.45714834 1 Tc Tc3 1 1.33709637 1.33709637 2.55549488 1 [/CIF]
CaCuTc2
P4/mmm
123
tetragonal
4/mmm
7,767.321414
false
[CIF] data_NbCd2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.64882321 _cell_length_b 5.64882321 _cell_length_c 2.81183274 _cell_angle_alpha 98.45410710 _cell_angle_beta 98.45410710 _cell_angle_gamma 118.98279351 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCd2Pd _chemical_formula_sum 'Nb1 Cd2 Pd1' _cell_volume 75.12368522 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 1.02671867 -2.43338012 1.34567256 1 Cd Cd1 1 1.02671867 2.43338013 1.34567256 1 Nb Nb2 1 -0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 2.86772528 0.00000000 0.00000000 1 [/CIF]
Cd2NbPd
C2/m
12
monoclinic
2/m
9,375.404747
false
[CIF] data_NaPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86870024 _cell_length_b 2.86870024 _cell_length_c 4.43995310 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaPd _chemical_formula_sum 'Na1 Pd1' _cell_volume 36.53833245 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 0.00000000 0.00000000 1 Pd Pd1 1 1.43435012 1.43435012 2.21997655 1 [/CIF]
Na2Pd2
P4/mmm
123
tetragonal
4/mmm
5,881.220162
false
[CIF] data_BeGaHgPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50333283 _cell_length_b 4.50333283 _cell_length_c 4.50333283 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeGaHgPd _chemical_formula_sum 'Be1 Ga1 Hg1 Pd1' _cell_volume 64.57837887 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 4.77650577 4.77650577 4.77650577 1 Hg Hg2 1 3.18433718 3.18433718 3.18433718 1 Pd Pd3 1 1.59216859 1.59216859 1.59216859 1 [/CIF]
BeGaHgPd
F-43m
216
cubic
-43m
9,918.876188
false
[CIF] data_TeP2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23523677 _cell_length_b 3.23523677 _cell_length_c 7.05256140 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TeP2Rh _chemical_formula_sum 'Te1 P2 Rh1' _cell_volume 73.81744610 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61761839 1.61761839 5.89827601 1 P P1 1 1.61761839 1.61761839 1.15428539 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 0.00000000 0.00000000 3.52628070 1 [/CIF]
P2RhTe
P4/mmm
123
tetragonal
4/mmm
6,579.508969
false
[CIF] data_MgFeAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46804175 _cell_length_b 4.46804175 _cell_length_c 4.46804175 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgFeAs2 _chemical_formula_sum 'Mg1 Fe1 As2' _cell_volume 63.07200977 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 4.73907393 4.73907393 4.73907393 1 As As1 1 1.57969131 1.57969131 1.57969131 1 Fe Fe2 1 3.15938262 3.15938262 3.15938262 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2FeMg
Fm-3m
225
cubic
m-3m
6,055.185098
false
[CIF] data_TaGeI3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73622833 _cell_length_b 5.73622833 _cell_length_c 5.73622833 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaGeI3 _chemical_formula_sum 'Ta1 Ge1 I3' _cell_volume 188.74666649 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy I I0 1 0.00000000 2.86811417 0.00000000 1 I I1 1 0.00000000 0.00000000 2.86811417 1 I I2 1 2.86811417 0.00000000 0.00000000 1 Ge Ge3 1 0.00000000 0.00000000 0.00000000 1 Ta Ta4 1 2.86811417 2.86811417 2.86811417 1 [/CIF]
GeI3Ta
Pm-3m
221
cubic
m-3m
5,580.400924
false
[CIF] data_SiTe2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06852762 _cell_length_b 5.06852762 _cell_length_c 5.06852762 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiTe2Au _chemical_formula_sum 'Si1 Te2 Au1' _cell_volume 92.07261006 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.58399025 3.58399025 3.58399025 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 5.37598538 5.37598538 5.37598538 1 Te Te3 1 1.79199513 1.79199513 1.79199513 1 [/CIF]
AuSiTe2
Fm-3m
225
cubic
m-3m
8,661.418848
false
[CIF] data_BaSrTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77488175 _cell_length_b 5.77488175 _cell_length_c 5.77488175 _cell_angle_alpha 132.50052958 _cell_angle_beta 132.50052958 _cell_angle_gamma 69.43963440 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSrTc2 _chemical_formula_sum 'Ba1 Sr1 Tc2' _cell_volume 102.70414653 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.74664726 1 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 2.32579008 -0.00000000 2.37332363 1 Tc Tc3 1 -0.00000000 2.32579008 2.37332363 1 [/CIF]
BaSrTc2
I4/mmm
139
tetragonal
4/mmm
6,835.249824
false
[CIF] data_MgTi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00913952 _cell_length_b 4.00913952 _cell_length_c 2.56267683 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTi _chemical_formula_sum 'Mg1 Ti1' _cell_volume 41.19041643 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ti Ti1 1 2.00456976 2.00456976 0.00000000 1 [/CIF]
MgTi
P4/mmm
123
tetragonal
4/mmm
2,909.522066
false
[CIF] data_Mo2OsPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81960952 _cell_length_b 4.81960952 _cell_length_c 2.78550010 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.57391575 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mo2OsPd _chemical_formula_sum 'Mo2 Os1 Pd1' _cell_volume 60.96416477 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 1.38953754 1.96884342 1.39275005 1 Mo Mo1 1 1.38953754 -1.96884342 1.39275005 1 Os Os2 1 2.77907508 -0.00000000 0.00000000 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mo2OsPd
Cmmm
65
orthorhombic
mmm
13,307.646793
false
[CIF] data_NaHf4Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80001638 _cell_length_b 5.80001638 _cell_length_c 5.80001638 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaHf4Si _chemical_formula_sum 'Na1 Hf4 Si1' _cell_volume 137.96618686 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.07994510 3.07994510 5.12251672 1 Hf Hf1 1 3.07994510 5.12251672 3.07994510 1 Hf Hf2 1 5.12251672 3.07994510 3.07994510 1 Hf Hf3 1 5.12251672 5.12251672 5.12251672 1 Na Na4 1 0.00000000 0.00000000 0.00000000 1 Si Si5 1 2.05061545 2.05061545 2.05061545 1 [/CIF]
Hf4NaSi
F-43m
216
cubic
-43m
9,207.84274
false
[CIF] data_AcCrCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57369111 _cell_length_b 4.57369111 _cell_length_c 4.57369111 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AcCrCo2 _chemical_formula_sum 'Ac1 Cr1 Co2' _cell_volume 67.65275618 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.23408800 3.23408800 3.23408800 1 Co Co1 1 4.85113200 4.85113200 4.85113200 1 Co Co2 1 1.61704400 1.61704400 1.61704400 1 Cr Cr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AcCo2Cr
Fm-3m
225
cubic
m-3m
9,741.002524
false
[CIF] data_InTe2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41616626 _cell_length_b 4.41616626 _cell_length_c 6.07944566 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InTe2Se _chemical_formula_sum 'In1 Te2 Se1' _cell_volume 118.56453754 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.20808313 2.20808313 0.00000000 1 Se Se1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 2.20808313 2.20808313 3.03972283 1 Te Te3 1 0.00000000 0.00000000 3.03972283 1 [/CIF]
InSeTe2
P4/mmm
123
tetragonal
4/mmm
6,288.70545
false
[CIF] data_BaAsO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.60180590 _cell_length_b 6.60180590 _cell_length_c 6.60180590 _cell_angle_alpha 53.47212707 _cell_angle_beta 53.47212707 _cell_angle_gamma 53.47212707 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaAsO3 _chemical_formula_sum 'Ba2 As2 O6' _cell_volume 172.37664684 _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 As As0 1 0.00000000 0.00000000 2.07118855 1 As As1 1 -0.00000000 0.00000000 14.85221945 1 Ba Ba2 1 0.00000000 0.00000000 6.18949458 1 Ba Ba3 1 0.00000000 0.00000000 10.73391342 1 O O4 1 -1.10686642 -2.24706324 7.01807457 1 O O5 1 -1.39258064 2.08210606 7.01807457 1 O O6 1 2.49944706 0.16495718 7.01807457 1 O O7 1 -2.49944706 -0.16495718 9.90533343 1 O O8 1 1.39258064 -2.08210606 9.90533343 1 O O9 1 1.10686642 2.24706324 9.90533343 1 [/CIF]
As2Ba2O6
R-3
148
trigonal
-3
5,014.019799
false
[CIF] data_Hf2BiSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94753970 _cell_length_b 4.94753970 _cell_length_c 4.94753970 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2BiSe _chemical_formula_sum 'Hf2 Bi1 Se1' _cell_volume 85.63530802 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.49843887 3.49843887 3.49843887 1 Hf Hf1 1 5.24765830 5.24765830 5.24765830 1 Hf Hf2 1 1.74921943 1.74921943 1.74921943 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiHf2Se
Fm-3m
225
cubic
m-3m
12,505.589333
false
[CIF] data_ScV2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00786715 _cell_length_b 3.00786715 _cell_length_c 5.98507929 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScV2B _chemical_formula_sum 'Sc1 V2 B1' _cell_volume 54.14859714 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.58800018 1 Sc Sc1 1 1.50393358 1.50393358 4.34245423 1 V V2 1 0.00000000 0.00000000 0.31356950 1 V V3 1 1.50393358 1.50393358 1.73359503 1 [/CIF]
BScV2
P4mm
99
tetragonal
4mm
4,834.545151
false
[CIF] data_SiRu2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00065018 _cell_length_b 3.00835727 _cell_length_c 6.24733883 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.00457311 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiRu2Se _chemical_formula_sum 'Si1 Ru2 Se1' _cell_volume 56.38623324 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.47663490 1.50417863 1.39919512 1 Ru Ru1 1 1.41448562 1.50417863 4.84718349 1 Se Se2 1 -0.05476483 0.00000000 3.12318930 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ru2SeSi
P2/m
10
monoclinic
2/m
9,105.318303
false
[CIF] data_K3Tm(PO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.45266800 _cell_length_b 5.65178300 _cell_length_c 9.38546959 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.99056048 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K3Tm(PO4)2 _chemical_formula_sum 'K6 Tm2 P4 O16' _cell_volume 395.26499399 _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 K K0 1 1.51878525 1.41294575 0.75697515 1 K K1 1 5.77162975 4.23883725 8.62709185 1 K K2 1 4.67890123 1.41294575 3.87256985 1 K K3 1 2.61151377 4.23883725 5.51149715 1 K K4 1 3.57326634 1.41294575 7.57653617 1 K K5 1 3.71714866 4.23883725 1.80753083 1 Tm Tm6 1 7.27853666 1.41294575 6.69047379 1 Tm Tm7 1 0.01187834 4.23883725 2.69359321 1 P P8 1 1.30445567 1.41294575 4.01806981 1 P P9 1 5.98595933 4.23883725 5.36599719 1 P P10 1 1.53966517 4.23883725 8.52949755 1 P P11 1 5.75074983 1.41294575 0.85456945 1 O O12 1 7.25236931 1.41294575 4.37244033 1 O O13 1 0.03804569 4.23883725 5.01162667 1 O O14 1 2.05251576 1.41294575 5.38883801 1 O O15 1 5.23789924 4.23883725 3.99522899 1 O O16 1 1.68004849 0.14205191 3.18656640 1 O O17 1 5.61036651 2.96794341 6.19750060 1 O O18 1 5.61036651 5.50973109 6.19750060 1 O O19 1 1.68004849 2.68383959 3.18656640 1 O O20 1 0.96847273 5.51221787 7.81686212 1 O O21 1 6.32194227 2.68632637 1.56720488 1 O O22 1 6.32194227 0.13956513 1.56720488 1 O O23 1 0.96847273 2.96545663 7.81686212 1 O O24 1 1.24660704 4.23883725 0.64098808 1 O O25 1 6.04380796 1.41294575 8.74307892 1 O O26 1 3.07185502 4.23883725 8.41896263 1 O O27 1 4.21855998 1.41294575 0.96510437 1 [/CIF]
K6O16P4Tm2
P2_1/m
11
monoclinic
2/m
4,000.870023
false
[CIF] data_FeRuW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.70755851 _cell_length_b 4.36248336 _cell_length_c 5.05442358 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.39259043 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeRuW2 _chemical_formula_sum 'Fe1 Ru1 W2' _cell_volume 58.90083064 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.94305312 0.00000000 2.44873765 1 Ru Ru1 1 0.12519614 2.18124168 3.75353950 1 W W2 1 1.83159912 0.00000000 4.92726021 1 W W3 1 1.80686359 2.18124168 1.33711347 1 [/CIF]
FeRuW2
Pm
6
monoclinic
m
14,789.443241
false
[CIF] data_ZrCoIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28121599 _cell_length_b 4.28121599 _cell_length_c 4.28121599 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCoIr _chemical_formula_sum 'Zr1 Co1 Ir1' _cell_volume 55.48638352 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 3.02727686 3.02727686 3.02727686 1 Zr Zr2 1 4.54091529 4.54091529 4.54091529 1 [/CIF]
CoIrZr
F-43m
216
cubic
-43m
10,246.220607
false
[CIF] data_Cu2Ag5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.40000000 _cell_length_b 15.32280653 _cell_length_c 2.66735824 _cell_angle_alpha 86.67349316 _cell_angle_beta 83.36926223 _cell_angle_gamma 9.95724461 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2Ag5 _chemical_formula_sum 'Cu2 Ag5' _cell_volume 102.26339200 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.54000000 2.17788889 4.35577777 1 Ag Ag1 1 1.54000000 2.17788889 21.77888886 1 Ag Ag2 1 1.54000000 2.17788889 8.71155554 1 Ag Ag3 1 1.54000000 2.17788889 26.13466663 1 Ag Ag4 1 0.00000000 0.00000000 0.00000000 1 Cu Cu5 1 1.54000000 2.17788889 13.06733332 1 Cu Cu6 1 1.54000000 2.17788889 17.42311109 1 [/CIF]
Ag5Cu2
Fmmm
69
orthorhombic
mmm
10,821.448518
false
[CIF] data_CuSiTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38628071 _cell_length_b 5.38628071 _cell_length_c 5.38628071 _cell_angle_alpha 137.60203219 _cell_angle_beta 103.94109286 _cell_angle_gamma 91.18017938 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuSiTe2 _chemical_formula_sum 'Cu1 Si1 Te2' _cell_volume 97.44474188 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.76924874 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 -0.00000000 3.31830700 1.76674134 1 Te Te3 1 1.94772239 0.00000000 2.00250740 1 [/CIF]
CuSiTe2
Immm
71
orthorhombic
mmm
5,910.295868
false
[CIF] data_Li2IrRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.89973668 _cell_length_b 8.89973668 _cell_length_c 8.89973668 _cell_angle_alpha 17.25673538 _cell_angle_beta 17.25673538 _cell_angle_gamma 17.25673538 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2IrRh _chemical_formula_sum 'Li2 Ir1 Rh1' _cell_volume 54.12927873 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 -0.00000000 -0.00000000 13.14776873 1 Li Li1 1 0.00000000 0.00000000 19.72126471 1 Li Li2 1 -0.00000000 0.00000000 6.57427275 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrLi2Rh
R-3m
166
trigonal
-3m
9,479.417725
false
[CIF] data_LuCo2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37430078 _cell_length_b 4.37430078 _cell_length_c 4.37430078 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LuCo2Pt _chemical_formula_sum 'Lu1 Co2 Pt1' _cell_volume 59.18490144 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 4.63964662 4.63964662 4.63964662 1 Co Co1 1 1.54654887 1.54654887 1.54654887 1 Lu Lu2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 3.09309775 3.09309775 3.09309775 1 [/CIF]
Co2LuPt
Fm-3m
225
cubic
m-3m
13,689.396037
false