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_LaGe3Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49146851 _cell_length_b 5.49146851 _cell_length_c 5.49146851 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaGe3Os _chemical_formula_sum 'La1 Ge3 Os1' _cell_volume 165.60196764 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.74573425 0.00000000 1 Ge Ge1 1 0.00000000 0.00000000 2.74573425 1 Ge Ge2 1 2.74573425 0.00000000 0.00000000 1 Os Os3 1 2.74573425 2.74573425 2.74573425 1 La La4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ge3LaOs
Pm-3m
221
cubic
m-3m
5,485.484216
false
[CIF] data_Ag5Pt7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92731443 _cell_length_b 6.38490107 _cell_length_c 7.01087779 _cell_angle_alpha 68.24475222 _cell_angle_beta 88.96737687 _cell_angle_gamma 74.83943149 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag5Pt7 _chemical_formula_sum 'Ag5 Pt7' _cell_volume 196.95833477 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.14839684 2.19337511 1.61120680 1 Ag Ag1 1 1.69509341 3.48844424 1.06759758 1 Ag Ag2 1 0.00000000 0.00000000 0.00000000 1 Ag Ag3 1 5.02838009 5.33223433 5.41865837 1 Ag Ag4 1 2.57507666 6.62730347 4.87504915 1 Pt Pt5 1 4.15155810 4.90341737 0.57812453 1 Pt Pt6 1 2.57191540 3.91726121 5.90813142 1 Pt Pt7 1 3.35034643 1.84694779 4.30456536 1 Pt Pt8 1 0.92333654 3.09477871 3.74247434 1 Pt Pt9 1 3.36173675 4.41033929 3.24312798 1 Pt Pt10 1 5.80013696 5.72589987 2.74378162 1 Pt Pt11 1 3.37312707 6.97373078 2.18169059 1 [/CIF]
Ag5Pt7
P-1
2
triclinic
-1
16,060.295328
false
[CIF] data_YMo2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43204796 _cell_length_b 5.43204796 _cell_length_c 2.85741522 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 121.90856192 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMo2Rh _chemical_formula_sum 'Y1 Mo2 Rh1' _cell_volume 71.57368041 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.31864965 2.37443664 1.42870761 1 Mo Mo1 1 1.31864965 -2.37443664 1.42870761 1 Rh Rh2 1 2.63729930 -0.00000000 0.00000000 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mo2RhY
Cmmm
65
orthorhombic
mmm
8,902.726451
false
[CIF] data_NaGa2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.76753113 _cell_length_b 3.76753113 _cell_length_c 6.40403490 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaGa2Se _chemical_formula_sum 'Na1 Ga2 Se1' _cell_volume 90.90073352 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.09326567 1 Ga Ga1 1 1.88376556 1.88376556 1.16635753 1 Na Na2 1 0.00000000 0.00000000 3.39602116 1 Se Se3 1 1.88376556 1.88376556 4.95040806 1 [/CIF]
Ga2NaSe
P4mm
99
tetragonal
4mm
4,409.743671
false
[CIF] data_TlTe2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75280098 _cell_length_b 5.75280098 _cell_length_c 5.75280098 _cell_angle_alpha 133.64637485 _cell_angle_beta 133.64637485 _cell_angle_gamma 67.64086193 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlTe2Pt _chemical_formula_sum 'Tl1 Te2 Pt1' _cell_volume 98.00111134 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.77934679 1 Te Te1 1 0.00000000 2.26412934 2.38967339 1 Te Te2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 2.26412934 0.00000000 2.38967340 1 [/CIF]
PtTe2Tl
I-4m2
119
tetragonal
-42m
11,092.737749
false
[CIF] data_ZrB2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03609478 _cell_length_b 4.03609478 _cell_length_c 4.03609478 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrB2Ru _chemical_formula_sum 'Zr1 B2 Ru1' _cell_volume 46.49101956 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.28092498 4.28092498 4.28092498 1 B B1 1 1.42697499 1.42697499 1.42697499 1 Ru Ru2 1 2.85394999 2.85394999 2.85394999 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2RuZr
Fm-3m
225
cubic
m-3m
7,640.531152
false
[CIF] data_GaFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47174723 _cell_length_b 4.47174723 _cell_length_c 4.47174723 _cell_angle_alpha 146.35238066 _cell_angle_beta 130.48671480 _cell_angle_gamma 61.20136895 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaFe2 _chemical_formula_sum 'Ga1 Fe2' _cell_volume 37.31427455 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.57942460 1 Fe Fe1 1 -0.00000000 0.00000000 5.11856256 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Fe2Ga
Immm
71
orthorhombic
mmm
8,073.140301
false
[CIF] data_Na2SbTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81345597 _cell_length_b 5.81345597 _cell_length_c 5.81345597 _cell_angle_alpha 131.45059875 _cell_angle_beta 131.45059875 _cell_angle_gamma 71.09814290 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2SbTe _chemical_formula_sum 'Na2 Sb1 Te1' _cell_volume 108.06963635 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.38998082 2.36496584 1 Na Na1 1 2.38998082 -0.00000000 2.36496584 1 Sb Sb2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 0.00000000 -0.00000000 4.72993167 1 [/CIF]
Na2SbTe
I4/mmm
139
tetragonal
4/mmm
4,538.306147
false
[CIF] data_Mg2GePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.74870734 _cell_length_b 6.74870734 _cell_length_c 6.74870734 _cell_angle_alpha 149.61530845 _cell_angle_beta 141.25260624 _cell_angle_gamma 50.01688750 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2GePb _chemical_formula_sum 'Mg2 Ge1 Pb1' _cell_volume 96.86146790 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 -0.00000000 0.00000000 9.34941708 1 Mg Mg1 1 -0.00000000 2.23873577 5.45470141 1 Mg Mg2 1 -0.00000000 0.00000000 2.97048933 1 Pb Pb3 1 -0.00000000 2.23873577 0.57334907 1 [/CIF]
GeMg2Pb
Imm2
44
orthorhombic
mm2
5,630.763897
false
[CIF] data_SrNbReNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61970135 _cell_length_b 4.61970135 _cell_length_c 4.61970135 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrNbReNi _chemical_formula_sum 'Sr1 Nb1 Re1 Ni1' _cell_volume 69.71507571 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63331108 1.63331107 1.63331107 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 4.89993323 4.89993323 4.89993323 1 Sr Sr3 1 3.26662215 3.26662215 3.26662215 1 [/CIF]
NbNiReSr
F-43m
216
cubic
-43m
10,133.2141
false
[CIF] data_BaTa2Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02302083 _cell_length_b 3.02302083 _cell_length_c 10.27418634 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTa2Cd _chemical_formula_sum 'Ba1 Ta2 Cd1' _cell_volume 93.89224374 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.13709317 1 Cd Cd1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 1.51151042 1.51151042 2.13770382 1 Ta Ta3 1 1.51151042 1.51151042 8.13648252 1 [/CIF]
BaCdTa2
P4/mmm
123
tetragonal
4/mmm
10,817.099608
false
[CIF] data_AsOsPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31235623 _cell_length_b 5.31235623 _cell_length_c 5.31235623 _cell_angle_alpha 131.46531279 _cell_angle_beta 126.04315572 _cell_angle_gamma 75.48929125 _symmetry_Int_Tables_number 1 _chemical_formula_structural AsOsPb2 _chemical_formula_sum 'As1 Os1 Pb2' _cell_volume 88.41398516 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 0.00000000 0.00000000 4.20072860 1 Pb Pb2 1 2.18335093 0.00000000 2.20244528 1 Pb Pb3 1 -0.00000000 2.40997649 1.99828332 1 [/CIF]
AsOsPb2
Immm
71
orthorhombic
mmm
12,762.935383
false
[CIF] data_CeOF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.07005679 _cell_length_b 7.07005679 _cell_length_c 7.07005679 _cell_angle_alpha 32.77421340 _cell_angle_beta 32.77421340 _cell_angle_gamma 32.77421340 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeOF _chemical_formula_sum 'Ce2 O2 F2' _cell_volume 92.12601491 _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 Ce Ce0 1 -0.00000000 0.00000000 4.81411515 1 Ce Ce1 1 0.00000000 0.00000000 15.23901624 1 O O2 1 -0.00000000 -0.00000000 2.45031218 1 O O3 1 0.00000000 0.00000000 17.60281921 1 F F4 1 -0.00000000 -0.00000000 7.41733245 1 F F5 1 -0.00000000 0.00000000 12.63579894 1 [/CIF]
Ce2F2O2
R-3m
166
trigonal
-3m
6,312.729265
false
[CIF] data_TlCrRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78824371 _cell_length_b 2.78824371 _cell_length_c 9.33997188 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 114.23971053 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlCrRe2 _chemical_formula_sum 'Tl1 Cr1 Re2' _cell_volume 66.21001162 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 1.51369138 0.00000000 1.97807753 1 Re Re2 1 1.51369138 0.00000000 7.36189435 1 Tl Tl3 1 0.00000000 0.00000000 4.66998594 1 [/CIF]
CrRe2Tl
Cmmm
65
orthorhombic
mmm
15,770.06226
false
[CIF] data_Ti2CrNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21671842 _cell_length_b 4.21671842 _cell_length_c 3.05318135 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2CrNi _chemical_formula_sum 'Ti2 Cr1 Ni1' _cell_volume 54.28774509 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 2.10835921 2.10835921 0.00000000 1 Ti Ti2 1 2.10835921 0.00000000 1.52659068 1 Ti Ti3 1 0.00000000 2.10835921 1.52659068 1 [/CIF]
CrNiTi2
P4/mmm
123
tetragonal
4/mmm
6,314.026959
false
[CIF] data_LiNi2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88897369 _cell_length_b 2.88897369 _cell_length_c 5.36172544 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNi2P _chemical_formula_sum 'Li1 Ni2 P1' _cell_volume 44.74986655 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 1.44448684 1.44448684 1.45151446 1 Ni Ni2 1 1.44448684 1.44448684 3.91021098 1 P P3 1 0.00000000 0.00000000 2.68086272 1 [/CIF]
LiNi2P
P4/mmm
123
tetragonal
4/mmm
5,762.79508
false
[CIF] data_HfBiIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76000945 _cell_length_b 4.76000945 _cell_length_c 5.06481700 _cell_angle_alpha 104.97772704 _cell_angle_beta 104.97772704 _cell_angle_gamma 44.46982066 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBiIr2 _chemical_formula_sum 'Hf1 Bi1 Ir2' _cell_volume 77.19411909 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.69899451 0.00000000 2.43169833 1 Hf Hf1 1 0.00000000 0.00000000 0.00000000 1 Ir Ir2 1 6.22071975 0.00000000 1.06246308 1 Ir Ir3 1 1.17726926 0.00000000 3.80093357 1 [/CIF]
BiHfIr2
C2/m
12
monoclinic
2/m
16,604.59925
false
[CIF] data_Ba2AsBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75064164 _cell_length_b 5.75064164 _cell_length_c 5.75064164 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2AsBr _chemical_formula_sum 'Ba2 As1 Br1' _cell_volume 134.47263543 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ba Ba1 1 2.03315885 2.03315885 2.03315885 1 Ba Ba2 1 6.09947655 6.09947655 6.09947655 1 Br Br3 1 4.06631770 4.06631770 4.06631770 1 [/CIF]
AsBa2Br
Fm-3m
225
cubic
m-3m
5,303.440747
false
[CIF] data_TaTiAl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53335839 _cell_length_b 4.53335839 _cell_length_c 4.53335839 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTiAl2 _chemical_formula_sum 'Ta1 Ti1 Al2' _cell_volume 65.87872188 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.60278423 1.60278423 1.60278423 1 Al Al1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 4.80835269 4.80835269 4.80835269 1 Ti Ti3 1 3.20556846 3.20556846 3.20556846 1 [/CIF]
Al2TaTi
F-43m
216
cubic
-43m
7,127.701202
false
[CIF] data_CaV2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03514078 _cell_length_b 3.03514078 _cell_length_c 8.39928596 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 104.74140630 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaV2As _chemical_formula_sum 'Ca1 V2 As1' _cell_volume 74.82802760 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.19964298 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 1.85310582 -0.00000000 2.60410311 1 V V3 1 1.85310582 -0.00000000 5.79518285 1 [/CIF]
AsCaV2
Cmmm
65
orthorhombic
mmm
4,812.929616
false
[CIF] data_ScTaBe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02050858 _cell_length_b 3.02050858 _cell_length_c 6.25836160 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTaBe2 _chemical_formula_sum 'Sc1 Ta1 Be2' _cell_volume 57.09798734 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.51025429 1.51025429 4.63058841 1 Be Be1 1 1.51025429 1.51025429 1.62777319 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 0.00000000 0.00000000 3.12918080 1 [/CIF]
Be2ScTa
P4/mmm
123
tetragonal
4/mmm
7,093.984418
false
[CIF] data_SiBi2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32624670 _cell_length_b 5.32624670 _cell_length_c 5.32624670 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiBi2Br _chemical_formula_sum 'Si1 Bi2 Br1' _cell_volume 106.84367967 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.64933774 5.64933774 5.64933774 1 Bi Bi1 1 3.76622516 3.76622516 3.76622516 1 Br Br2 1 1.88311258 1.88311258 1.88311258 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi2BrSi
F-43m
216
cubic
-43m
8,174.194514
false
[CIF] data_MnCdBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23304775 _cell_length_b 5.23304775 _cell_length_c 5.23304775 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCdBi2 _chemical_formula_sum 'Mn1 Cd1 Bi2' _cell_volume 101.33257872 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.85016178 1.85016178 1.85016178 1 Bi Bi1 1 5.55048533 5.55048533 5.55048533 1 Cd Cd2 1 3.70032355 3.70032355 3.70032355 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi2CdMn
Fm-3m
225
cubic
m-3m
9,591.484555
false
[CIF] data_BiSbTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80359381 _cell_length_b 4.80359381 _cell_length_c 7.41007658 _cell_angle_alpha 104.50956787 _cell_angle_beta 104.50956787 _cell_angle_gamma 52.18650729 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiSbTe2 _chemical_formula_sum 'Bi1 Sb1 Te2' _cell_volume 129.71625160 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.28039553 0.00000000 3.55794223 1 Sb Sb1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 0.62043633 -0.00000000 5.39159956 1 Te Te3 1 5.94035473 0.00000000 1.72428490 1 [/CIF]
BiSbTe2
C2/m
12
monoclinic
2/m
7,500.809751
false
[CIF] data_NbCo2Si3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.81625994 _cell_length_b 7.81625994 _cell_length_c 7.81625994 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCo2Si3 _chemical_formula_sum 'Nb4 Co8 Si12' _cell_volume 337.66184163 _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 Co Co0 1 6.82810959 9.75268164 6.82810959 1 Co Co1 1 9.75268164 9.75268164 9.75268164 1 Co Co2 1 9.75268164 6.82810959 6.82810959 1 Co Co3 1 6.82810959 6.82810959 9.75268164 1 Co Co4 1 4.06464438 4.06464438 4.06464438 1 Co Co5 1 6.98921644 4.06464438 6.98921644 1 Co Co6 1 4.06464438 6.98921644 6.98921644 1 Co Co7 1 6.98921644 6.98921644 4.06464438 1 Nb Nb8 1 4.14519781 1.38173260 4.14519781 1 Nb Nb9 1 1.38173260 1.38173260 1.38173260 1 Nb Nb10 1 1.38173260 4.14519781 4.14519781 1 Nb Nb11 1 4.14519781 4.14519781 1.38173260 1 Si Si12 1 10.66972048 8.29039561 8.29039562 1 Si Si13 1 5.91107075 8.29039561 8.29039562 1 Si Si14 1 8.29039562 8.29039562 10.66972048 1 Si Si15 1 8.29039562 8.29039562 5.91107075 1 Si Si16 1 8.29039562 5.91107075 8.29039562 1 Si Si17 1 8.29039562 10.66972048 8.29039562 1 Si Si18 1 5.52693041 5.52693041 7.90625527 1 Si Si19 1 5.52693041 5.52693041 3.14760555 1 Si Si20 1 7.90625527 5.52693041 5.52693041 1 Si Si21 1 3.14760555 5.52693041 5.52693041 1 Si Si22 1 5.52693041 7.90625527 5.52693041 1 Si Si23 1 5.52693041 3.14760555 5.52693041 1 [/CIF]
Co8Nb4Si12
Fd-3m
227
cubic
m-3m
5,803.529665
false
[CIF] data_Nb2AsW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61601223 _cell_length_b 4.61601223 _cell_length_c 3.26599942 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 104.29916926 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2AsW _chemical_formula_sum 'Nb2 As1 W1' _cell_volume 67.43454601 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 1.41619736 1.82243718 1.63299971 1 Nb Nb2 1 1.41619736 -1.82243717 1.63299971 1 W W3 1 2.83239473 -0.00000000 0.00000000 1 [/CIF]
AsNb2W
Cmmm
65
orthorhombic
mmm
10,947.402132
false
[CIF] data_HfZrTaNbMoC5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.49550494 _cell_length_b 8.49550494 _cell_length_c 8.49550494 _cell_angle_alpha 158.22861508 _cell_angle_beta 149.09251119 _cell_angle_gamma 38.12469892 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZrTaNbMoC5 _chemical_formula_sum 'Hf1 Zr1 Ta1 Nb1 Mo1 C5' _cell_volume 116.64999367 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 16.04752560 1 C C1 1 0.00000000 -0.00000000 6.45685061 1 C C2 1 0.00000000 0.00000000 12.82567609 1 C C3 1 -0.00000000 -0.00000000 3.16191609 1 C C4 1 0.00000000 0.00000000 9.67161540 1 Hf Hf5 1 -0.00000000 2.26371512 0.00671856 1 Mo Mo6 1 -0.00000000 2.26371512 6.43694239 1 Nb Nb7 1 1.60437805 -0.00000000 1.58437193 1 Ta Ta8 1 -0.00000000 2.26371512 3.21899481 1 Zr Zr9 1 1.60437805 -0.00000000 4.82653354 1 [/CIF]
C5HfMoNbTaZr
Imm2
44
orthorhombic
mm2
9,958.704722
false
[CIF] data_PrCoC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81897125 _cell_length_b 3.81897125 _cell_length_c 7.41513969 _cell_angle_alpha 98.36662343 _cell_angle_beta 98.36662343 _cell_angle_gamma 90.05836914 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrCoC2 _chemical_formula_sum 'Pr2 Co2 C4' _cell_volume 105.82950639 _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 C C0 1 1.35677931 -0.98100794 1.99879144 1 C C1 1 1.94657878 -0.40779328 3.10063611 1 C C2 1 0.59345565 0.98100794 5.62693299 1 C C3 1 1.18325512 0.40779328 6.72877767 1 Co Co4 1 2.70849789 0.38189103 1.41704187 1 Co Co5 1 1.94517423 -0.38189103 5.04518342 1 Pr Pr6 1 2.69626540 -2.30269315 0.02144166 1 Pr Pr7 1 1.93294174 2.30269315 3.64958322 1 [/CIF]
C4Co2Pr2
Cc
9
monoclinic
m
7,025.110785
false
[CIF] data_CrAsIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.73474644 _cell_length_b 2.73474644 _cell_length_c 9.18936204 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.44576658 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrAsIr2 _chemical_formula_sum 'Cr1 As1 Ir2' _cell_volume 59.84785536 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.59468102 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Ir Ir2 1 1.37881199 0.00000000 2.10958392 1 Ir Ir3 1 1.37881199 0.00000000 7.07977812 1 [/CIF]
AsCrIr2
Cmmm
65
orthorhombic
mmm
14,187.9683
false
[CIF] data_SbMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57481476 _cell_length_b 3.57481476 _cell_length_c 3.60948685 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbMo _chemical_formula_sum 'Sb1 Mo1' _cell_volume 39.94690910 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sb Sb1 1 1.78740738 1.03196013 1.80474342 1 [/CIF]
MoSb
P-6m2
187
hexagonal
-6m2
9,050.326395
false
[CIF] data_Tc2AgRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75723453 _cell_length_b 4.75723453 _cell_length_c 4.75723453 _cell_angle_alpha 130.82862185 _cell_angle_beta 130.82862185 _cell_angle_gamma 72.08550474 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc2AgRh _chemical_formula_sum 'Tc2 Ag1 Rh1' _cell_volume 60.27600045 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.97926492 0.00000000 1.92329803 1 Rh Rh1 1 -0.00000000 0.00000000 3.84659605 1 Tc Tc2 1 0.00000000 1.97926492 1.92329802 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgRhTc2
I-4m2
119
tetragonal
-42m
11,256.10817
false
[CIF] data_CoSb3Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.83194543 _cell_length_b 6.13491881 _cell_length_c 12.03913416 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoSb3Pb _chemical_formula_sum 'Co8 Sb24 Pb8' _cell_volume 1021.61518753 _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 Co Co0 1 1.24329133 5.84217398 1.66421141 1 Co Co1 1 12.58865410 0.29274483 7.68377849 1 Co Co2 1 12.58865410 2.77471458 4.35535567 1 Co Co3 1 1.24329133 3.36020423 10.37492275 1 Co Co4 1 12.58865410 0.29274483 10.37492275 1 Co Co5 1 1.24329133 5.84217398 4.35535567 1 Co Co6 1 1.24329133 3.36020423 7.68377849 1 Co Co7 1 12.58865410 2.77471458 1.66421141 1 Pb Pb8 1 9.68962606 4.60118911 0.00000000 1 Pb Pb9 1 4.14231937 1.53372970 6.01956708 1 Pb Pb10 1 4.14231937 1.53372970 0.00000000 1 Pb Pb11 1 9.68962606 4.60118911 6.01956708 1 Pb Pb12 1 4.27663323 4.45073433 3.00978354 1 Pb Pb13 1 9.55531220 1.68418448 9.02935062 1 Pb Pb14 1 9.55531220 1.38327493 3.00978354 1 Pb Pb15 1 4.27663323 4.75164388 9.02935062 1 Sb Sb16 1 13.43876021 4.60118911 0.00000000 1 Sb Sb17 1 0.39318522 1.53372970 6.01956708 1 Sb Sb18 1 0.39318522 1.53372970 0.00000000 1 Sb Sb19 1 13.43876021 4.60118911 6.01956708 1 Sb Sb20 1 11.10147818 4.42108924 3.00978354 1 Sb Sb21 1 2.73046725 1.71382957 9.02935062 1 Sb Sb22 1 2.73046725 1.35362984 3.00978354 1 Sb Sb23 1 11.10147818 4.78128897 9.02935062 1 Sb Sb24 1 7.03817491 3.06314742 1.49565763 1 Sb Sb25 1 6.79377052 3.07177139 7.51522471 1 Sb Sb26 1 6.79377052 6.13060682 4.52390945 1 Sb Sb27 1 7.03817491 0.00431199 10.54347653 1 Sb Sb28 1 6.79377052 3.07177139 10.54347653 1 Sb Sb29 1 7.03817491 3.06314742 4.52390945 1 Sb Sb30 1 7.03817491 0.00431199 7.51522471 1 Sb Sb31 1 6.79377052 6.13060682 1.49565763 1 Sb Sb32 1 2.77161051 4.60118911 0.00000000 1 Sb Sb33 1 11.06033492 1.53372970 6.01956708 1 Sb Sb34 1 11.06033492 1.53372970 0.00000000 1 Sb Sb35 1 2.77161051 4.60118911 6.01956708 1 Sb Sb36 1 13.01842938 0.61108724 3.00978354 1 Sb Sb37 1 0.81351605 5.52383157 9.02935062 1 Sb Sb38 1 0.81351605 3.67854664 3.00978354 1 Sb Sb39 1 13.01842938 2.45637217 9.02935062 1 [/CIF]
Co8Pb8Sb24
Pbcm
57
orthorhombic
mmm
8,210.420442
false
[CIF] data_La2ZnAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37334296 _cell_length_b 5.37334296 _cell_length_c 3.80575332 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2ZnAg _chemical_formula_sum 'La2 Zn1 Ag1' _cell_volume 109.88280989 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.68667148 2.68667148 0.00000000 1 La La1 1 2.68667148 0.00000000 1.90287666 1 La La2 1 0.00000000 2.68667148 1.90287666 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgLa2Zn
P4/mmm
123
tetragonal
4/mmm
6,816.364853
false
[CIF] data_LaNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21753335 _cell_length_b 5.21753335 _cell_length_c 5.21753335 _cell_angle_alpha 115.14963455 _cell_angle_beta 115.14963455 _cell_angle_gamma 98.62881052 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaNi2 _chemical_formula_sum 'La2 Ni4' _cell_volume 106.48586867 _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 La La0 1 -0.00000000 0.00000000 5.10202583 1 La La1 1 0.00000000 0.00000000 1.70067528 1 Ni Ni2 1 1.98016107 0.81746906 3.40135055 1 Ni Ni3 1 -0.81746906 1.98016107 3.40135055 1 Ni Ni4 1 3.61509919 0.81746906 -0.00000000 1 Ni Ni5 1 0.81746906 1.98016107 0.00000000 1 [/CIF]
La2Ni4
I4/mcm
140
tetragonal
4/mmm
7,993.235762
false
[CIF] data_GeWSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.03036411 _cell_length_b 9.03036411 _cell_length_c 9.03036411 _cell_angle_alpha 20.49290610 _cell_angle_beta 20.49290610 _cell_angle_gamma 20.49290610 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeWSe2 _chemical_formula_sum 'Ge1 W1 Se2' _cell_volume 78.99748115 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 0.00000000 1 Se Se1 1 -0.00000000 -0.00000000 20.30768217 1 Se Se2 1 -0.00000000 0.00000000 6.20577022 1 W W3 1 0.00000000 0.00000000 13.25672619 1 [/CIF]
GeSe2W
R-3m
166
trigonal
-3m
8,710.751007
false
[CIF] data_MgCrGa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78552668 _cell_length_b 3.85067673 _cell_length_c 5.65586997 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.31280248 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCrGa2 _chemical_formula_sum 'Mg1 Cr1 Ga2' _cell_volume 60.66487791 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.01543885 0.00000000 2.82789284 1 Ga Ga1 1 1.49823986 1.92533836 4.11496794 1 Ga Ga2 1 1.25640913 1.92533836 1.54081774 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CrGa2Mg
P2/m
10
monoclinic
2/m
5,905.50085
false
[CIF] data_NaFeRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.66286624 _cell_length_b 2.66286624 _cell_length_c 9.57672291 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 113.79236806 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaFeRe2 _chemical_formula_sum 'Na1 Fe1 Re2' _cell_volume 62.13597028 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 1.45434504 0.00000000 5.07448635 1 Na Na1 1 0.00000000 0.00000000 2.49799269 1 Re Re2 1 1.45434504 0.00000000 9.31866106 1 Re Re3 1 0.00000000 0.00000000 7.05066726 1 [/CIF]
FeNaRe2
Cmm2
35
orthorhombic
mm2
12,059.298451
false
[CIF] data_Ta2ReP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46695730 _cell_length_b 4.46695730 _cell_length_c 4.46695730 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2ReP _chemical_formula_sum 'Ta2 Re1 P1' _cell_volume 63.02609592 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 4.73792370 4.73792370 4.73792370 1 Ta Ta2 1 3.15861580 3.15861580 3.15861580 1 Ta Ta3 1 1.57930790 1.57930790 1.57930790 1 [/CIF]
PReTa2
F-43m
216
cubic
-43m
15,256.842001
false
[CIF] data_KReSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79371873 _cell_length_b 4.79371873 _cell_length_c 8.04309667 _cell_angle_alpha 106.14722474 _cell_angle_beta 106.14722474 _cell_angle_gamma 43.44947916 _symmetry_Int_Tables_number 1 _chemical_formula_structural KReSb2 _chemical_formula_sum 'K1 Re1 Sb2' _cell_volume 121.27952839 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 3.55180110 -0.00000000 3.91328047 1 Re Re1 1 0.09858264 -0.00000000 7.29930070 1 Sb Sb2 1 6.44155605 -0.00000000 6.57920840 1 Sb Sb3 1 6.15458082 -0.00000000 1.39375366 1 [/CIF]
KReSb2
Cm
8
monoclinic
m
6,419.077782
false
[CIF] data_Cu2AgRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29140020 _cell_length_b 4.29140020 _cell_length_c 4.29140020 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2AgRh _chemical_formula_sum 'Cu2 Ag1 Rh1' _cell_volume 55.88330110 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 3.03447818 3.03447818 3.03447818 1 Cu Cu1 1 4.55171727 4.55171727 4.55171727 1 Cu Cu2 1 1.51723909 1.51723909 1.51723909 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgCu2Rh
Fm-3m
225
cubic
m-3m
10,039.478396
false
[CIF] data_GaAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79294516 _cell_length_b 3.79294516 _cell_length_c 3.79294516 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaAs _chemical_formula_sum 'Ga1 As1' _cell_volume 38.58466120 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 As As1 1 4.02302586 4.02302586 4.02302586 1 [/CIF]
AsGa
F-43m
216
cubic
-43m
6,224.960946
false
[CIF] data_Ba4CdAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.22618735 _cell_length_b 7.22618735 _cell_length_c 7.22618735 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba4CdAu _chemical_formula_sum 'Ba4 Cd1 Au1' _cell_volume 266.81648236 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.55484304 2.55484304 2.55484304 1 Ba Ba1 1 3.83492637 3.83492637 6.38444579 1 Ba Ba2 1 3.83492637 6.38444579 3.83492637 1 Ba Ba3 1 6.38444579 3.83492637 3.83492637 1 Ba Ba4 1 6.38444579 6.38444579 6.38444579 1 Cd Cd5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuBa4Cd
F-43m
216
cubic
-43m
5,344.051164
false
[CIF] data_SiSF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06659371 _cell_length_b 4.06659371 _cell_length_c 4.06659371 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiSF3 _chemical_formula_sum 'Si1 S1 F3' _cell_volume 67.25001007 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy F F0 1 2.03329686 0.00000000 0.00000000 1 F F1 1 0.00000000 2.03329686 0.00000000 1 F F2 1 0.00000000 0.00000000 2.03329686 1 S S3 1 2.03329686 2.03329686 2.03329686 1 Si Si4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
F3SSi
Pm-3m
221
cubic
m-3m
2,892.565028
false
[CIF] data_Sr2YNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91160313 _cell_length_b 3.91160313 _cell_length_c 9.47102384 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2YNb _chemical_formula_sum 'Sr2 Y1 Nb1' _cell_volume 144.91271718 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.95580157 1.95580157 6.71235810 1 Sr Sr1 1 0.00000000 0.00000000 8.91418731 1 Sr Sr2 1 1.95580157 1.95580157 2.71143005 1 Y Y3 1 0.00000000 0.00000000 5.33958414 1 [/CIF]
NbSr2Y
P4mm
99
tetragonal
4mm
4,091.422673
false
[CIF] data_KTi2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95852973 _cell_length_b 4.95852973 _cell_length_c 4.95852973 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTi2Sn _chemical_formula_sum 'K1 Ti2 Sn1' _cell_volume 86.20724533 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 3.50621000 3.50621000 3.50621000 1 Ti Ti2 1 5.25931500 5.25931500 5.25931500 1 Ti Ti3 1 1.75310500 1.75310500 1.75310500 1 [/CIF]
KSnTi2
Fm-3m
225
cubic
m-3m
4,883.776214
false
[CIF] data_NbFeRuW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39158557 _cell_length_b 4.39158557 _cell_length_c 4.39158557 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbFeRuW _chemical_formula_sum 'Nb1 Fe1 Ru1 W1' _cell_volume 59.88927445 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 4.65797991 4.65797991 4.65797991 1 Ru Ru2 1 3.10531994 3.10531994 3.10531994 1 W W3 1 1.55265997 1.55265997 1.55265997 1 [/CIF]
FeNbRuW
F-43m
216
cubic
-43m
12,024.050545
false
[CIF] data_MnSe5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29669101 _cell_length_b 7.00566658 _cell_length_c 7.00566658 _cell_angle_alpha 29.37078669 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnSe5 _chemical_formula_sum 'Mn1 Se5' _cell_volume 127.49897850 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.80070640 1 Se Se1 1 0.00000000 0.00000000 7.70429794 1 Se Se2 1 0.00000000 0.00000000 4.45771650 1 Se Se3 1 2.64834551 0.00000000 8.24992358 1 Se Se4 1 2.64834551 0.00000000 3.41995009 1 Se Se5 1 2.64834551 0.00000000 13.06400018 1 [/CIF]
MnSe5
Amm2
38
orthorhombic
mm2
5,857.361386
false
[CIF] data_LiCa2Sc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.70695806 _cell_length_b 3.70695806 _cell_length_c 9.07729772 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCa2Sc _chemical_formula_sum 'Li1 Ca2 Sc1' _cell_volume 124.73603209 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 8.80072989 1 Ca Ca1 1 1.85347903 1.85347903 2.71263877 1 Li Li2 1 0.00000000 0.00000000 4.80968535 1 Sc Sc3 1 1.85347903 1.85347903 6.37019029 1 [/CIF]
Ca2LiSc
P4mm
99
tetragonal
4mm
1,757.944481
false
[CIF] data_MgP3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59073929 _cell_length_b 3.59073929 _cell_length_c 5.11429237 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgP3 _chemical_formula_sum 'Mg1 P3' _cell_volume 65.94066149 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 P P1 1 1.79536965 1.79536965 3.65625738 1 P P2 1 0.00000000 0.00000000 2.55714619 1 P P3 1 1.79536965 1.79536965 1.45803499 1 [/CIF]
MgP3
P4/mmm
123
tetragonal
4/mmm
2,952.031539
false
[CIF] data_Be2NiOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79929233 _cell_length_b 3.79929233 _cell_length_c 2.80211015 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2NiOs _chemical_formula_sum 'Be2 Ni1 Os1' _cell_volume 40.44740140 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.89964617 0.00000000 1.40105507 1 Be Be1 1 0.00000000 1.89964617 1.40105507 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 1.89964617 1.89964617 0.00000000 1 [/CIF]
Be2NiOs
P4/mmm
123
tetragonal
4/mmm
10,959.349068
false
[CIF] data_MoPbBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24853575 _cell_length_b 3.24853575 _cell_length_c 8.75757590 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoPbBr2 _chemical_formula_sum 'Mo1 Pb1 Br2' _cell_volume 92.41856290 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62426788 1.62426788 7.19101284 1 Br Br1 1 1.62426788 1.62426788 1.56656306 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 0.00000000 0.00000000 4.37878795 1 [/CIF]
Br2MoPb
P4/mmm
123
tetragonal
4/mmm
8,318.421955
false
[CIF] data_ZrNbHgMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76908949 _cell_length_b 4.76908949 _cell_length_c 4.76908949 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNbHgMo _chemical_formula_sum 'Zr1 Nb1 Hg1 Mo1' _cell_volume 76.69930318 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 1.68612776 1.68612776 1.68612776 1 Mo Mo1 1 5.05838328 5.05838328 5.05838328 1 Nb Nb2 1 3.37225552 3.37225552 3.37225552 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgMoNbZr
F-43m
216
cubic
-43m
10,406.724917
false
[CIF] data_Al2TlPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34203092 _cell_length_b 3.34203092 _cell_length_c 8.84745411 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2TlPb _chemical_formula_sum 'Al2 Tl1 Pb1' _cell_volume 98.81872502 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67101546 1.67101546 0.35876922 1 Al Al1 1 0.00000000 0.00000000 1.89780297 1 Pb Pb2 1 1.67101546 1.67101546 4.09563223 1 Tl Tl3 1 0.00000000 0.00000000 6.91897675 1 [/CIF]
Al2PbTl
P4mm
99
tetragonal
4mm
7,823.368389
false
[CIF] data_La2RuBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.26541262 _cell_length_b 8.26541262 _cell_length_c 8.26541262 _cell_angle_alpha 29.25500450 _cell_angle_beta 29.25500450 _cell_angle_gamma 29.25500450 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2RuBr _chemical_formula_sum 'La2 Ru1 Br1' _cell_volume 119.32365507 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 -0.00000000 0.00000000 18.22470698 1 La La2 1 0.00000000 0.00000000 5.49388783 1 Ru Ru3 1 0.00000000 0.00000000 11.85929741 1 [/CIF]
BrLa2Ru
R-3m
166
trigonal
-3m
6,384.570732
false
[CIF] data_NaCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44707741 _cell_length_b 6.83663440 _cell_length_c 4.30399683 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCl2 _chemical_formula_sum 'Na2 Cl4' _cell_volume 160.27945090 _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 Cl Cl0 1 1.04072678 4.21262453 0.00000000 1 Cl Cl1 1 4.40635063 2.62400987 0.00000000 1 Cl Cl2 1 3.76426549 6.04232707 2.15199841 1 Cl Cl3 1 1.68281192 0.79430733 2.15199841 1 Na Na4 1 0.00000000 0.00000000 0.00000000 1 Na Na5 1 2.72353871 3.41831720 2.15199841 1 [/CIF]
Cl4Na2
Pnnm
58
orthorhombic
mmm
1,945.57184
false
[CIF] data_MgFe6Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.32573727 _cell_length_b 6.32573727 _cell_length_c 10.38439111 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.36143668 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgFe6Tc _chemical_formula_sum 'Mg4 Fe24 Tc4' _cell_volume 392.03097979 _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 Fe Fe0 1 3.65711269 2.57041224 2.64890106 1 Fe Fe1 1 5.42099311 -1.30600404 3.93857556 1 Fe Fe2 1 1.89323227 1.30600404 3.93857556 1 Fe Fe3 1 3.65711269 -2.57041224 2.64890106 1 Fe Fe4 1 1.89323227 -1.30600404 3.93857556 1 Fe Fe5 1 5.42099311 1.30600404 3.93857556 1 Fe Fe6 1 3.65711269 0.00000000 0.00000000 1 Fe Fe7 1 1.85083760 1.28834247 1.32598705 1 Fe Fe8 1 1.85083760 -1.28834247 1.32598705 1 Fe Fe9 1 3.65711269 2.57041224 7.73549005 1 Fe Fe10 1 5.46338778 -1.28834247 9.05840406 1 Fe Fe11 1 1.85083760 1.28834247 9.05840406 1 Fe Fe12 1 3.65711269 -2.57041224 7.73549005 1 Fe Fe13 1 1.85083760 -1.28834247 9.05840406 1 Fe Fe14 1 5.46338778 1.28834247 9.05840406 1 Fe Fe15 1 3.65711269 0.00000000 5.19219555 1 Fe Fe16 1 1.89323227 1.30600404 6.44581555 1 Fe Fe17 1 1.89323227 -1.30600404 6.44581555 1 Fe Fe18 1 0.00000000 0.00000000 0.00000000 1 Fe Fe19 1 5.46338778 1.28834247 1.32598705 1 Fe Fe20 1 5.46338778 -1.28834247 1.32598705 1 Fe Fe21 1 0.00000000 0.00000000 5.19219555 1 Fe Fe22 1 5.42099311 1.30600404 6.44581555 1 Fe Fe23 1 5.42099311 -1.30600404 6.44581555 1 Mg Mg24 1 3.65711269 2.59926315 0.00000000 1 Mg Mg25 1 3.65711269 -2.59926315 0.00000000 1 Mg Mg26 1 0.00000000 0.00000000 2.64671712 1 Mg Mg27 1 0.00000000 0.00000000 7.73767399 1 Tc Tc28 1 3.65711269 2.59881451 5.19219555 1 Tc Tc29 1 3.65711269 -2.59881451 5.19219555 1 Tc Tc30 1 3.65711269 0.00000000 2.65615206 1 Tc Tc31 1 3.65711269 0.00000000 7.72823905 1 [/CIF]
Fe24Mg4Tc4
Cmmm
65
orthorhombic
mmm
7,764.629586
false
[CIF] data_ScBeRu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10004782 _cell_length_b 5.10004782 _cell_length_c 5.10004782 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScBeRu4 _chemical_formula_sum 'Sc1 Be1 Ru4' _cell_volume 93.80106031 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.51100299 4.51100299 2.70155381 1 Ru Ru2 1 4.51100299 2.70155381 4.51100299 1 Ru Ru3 1 2.70155381 4.51100299 4.51100299 1 Ru Ru4 1 2.70155381 2.70155381 2.70155381 1 Sc Sc5 1 5.40941760 5.40941760 5.40941760 1 [/CIF]
BeRu4Sc
F-43m
216
cubic
-43m
8,112.262908
false
[CIF] data_Na2MnRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68675850 _cell_length_b 4.68675850 _cell_length_c 4.68675850 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2MnRh _chemical_formula_sum 'Na2 Mn1 Rh1' _cell_volume 72.79519779 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.31403872 3.31403872 3.31403872 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Na Na2 1 1.65701936 1.65701936 1.65701936 1 Rh Rh3 1 4.97105808 4.97105808 4.97105808 1 [/CIF]
MnNa2Rh
F-43m
216
cubic
-43m
4,649.430226
false
[CIF] data_Zr2TaCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28201791 _cell_length_b 3.28201791 _cell_length_c 6.94992033 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2TaCr _chemical_formula_sum 'Zr2 Ta1 Cr1' _cell_volume 74.86205068 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ta Ta1 1 0.00000000 0.00000000 3.47496017 1 Zr Zr2 1 1.64100896 1.64100896 5.37532602 1 Zr Zr3 1 1.64100896 1.64100896 1.57459431 1 [/CIF]
CrTaZr2
P4/mmm
123
tetragonal
4/mmm
9,213.94328
false
[CIF] data_GaPtBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.76494304 _cell_length_b 3.76494304 _cell_length_c 5.35955158 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaPtBr _chemical_formula_sum 'Ga1 Pt1 Br1' _cell_volume 65.79242704 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000002 2.17369089 5.17211793 1 Ga Ga1 1 0.00000000 0.00000000 2.21924957 1 Pt Pt2 1 1.88247150 1.08684545 3.32773566 1 [/CIF]
BrGaPt
P3m1
156
trigonal
3m
8,700.181894
false
[CIF] data_PrPa2Al _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23755966 _cell_length_b 5.23755966 _cell_length_c 5.23755966 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrPa2Al _chemical_formula_sum 'Pr1 Pa2 Al1' _cell_volume 101.59490998 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pa Pa1 1 5.55527092 5.55527092 5.55527092 1 Pa Pa2 1 1.85175697 1.85175697 1.85175697 1 Pr Pr3 1 3.70351395 3.70351395 3.70351395 1 [/CIF]
AlPa2Pr
Fm-3m
225
cubic
m-3m
10,296.527314
false
[CIF] data_TaBeSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07724133 _cell_length_b 3.07724133 _cell_length_c 8.46286547 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 105.01150135 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaBeSn2 _chemical_formula_sum 'Ta1 Be1 Sn2' _cell_volume 77.40356459 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 1.87306079 -0.00000000 1.95833136 1 Sn Sn2 1 1.87306079 -0.00000000 6.50453411 1 Ta Ta3 1 0.00000000 0.00000000 4.23143273 1 [/CIF]
BeSn2Ta
Cmmm
65
orthorhombic
mmm
9,168.586653
false
[CIF] data_P5Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.08457974 _cell_length_b 6.08457974 _cell_length_c 7.02075072 _cell_angle_alpha 111.23853204 _cell_angle_beta 111.23853204 _cell_angle_gamma 30.48091882 _symmetry_Int_Tables_number 1 _chemical_formula_structural P5Pd _chemical_formula_sum 'P5 Pd1' _cell_volume 122.20046813 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00745724 0.00000000 0.63627080 1 P P1 1 1.61439986 0.00000000 4.71415053 1 P P2 1 7.06034029 0.00000000 1.60841739 1 P P3 1 6.00896330 -0.00000000 4.77646558 1 P P4 1 9.90707561 0.00000000 1.91019621 1 Pd Pd5 1 2.97207085 -0.00000000 0.45324779 1 [/CIF]
P5Pd
Cm
8
monoclinic
m
3,550.561494
false
[CIF] data_BaSr2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.63631990 _cell_length_b 5.63631990 _cell_length_c 5.63631990 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSr2Os _chemical_formula_sum 'Ba1 Sr2 Os1' _cell_volume 126.61113571 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 3.98548002 3.98548002 3.98548002 1 Sr Sr2 1 1.99274001 1.99274001 1.99274001 1 Sr Sr3 1 5.97822003 5.97822003 5.97822003 1 [/CIF]
BaOsSr2
Fm-3m
225
cubic
m-3m
6,594.317762
false
[CIF] data_TlTc4Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26738805 _cell_length_b 5.26738805 _cell_length_c 5.26738805 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlTc4Se _chemical_formula_sum 'Tl1 Tc4 Se1' _cell_volume 103.34059193 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 0.00000000 1 Tc Tc1 1 4.66828952 4.66828952 2.78092210 1 Tc Tc2 1 4.66828952 2.78092210 4.66828952 1 Tc Tc3 1 2.78092210 4.66828952 4.66828952 1 Tc Tc4 1 2.78092210 2.78092210 2.78092210 1 Tl Tl5 1 5.58690872 5.58690872 5.58690872 1 [/CIF]
SeTc4Tl
F-43m
216
cubic
-43m
10,910.069644
false
[CIF] data_AlCd2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.64300830 _cell_length_b 5.64300830 _cell_length_c 5.05444610 _cell_angle_alpha 99.86518680 _cell_angle_beta 99.86518680 _cell_angle_gamma 29.68490525 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCd2Si _chemical_formula_sum 'Al1 Cd2 Si1' _cell_volume 78.44593766 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 7.95105196 0.00000000 1.24366497 1 Cd Cd2 1 2.06252110 -0.00000000 3.73075335 1 Si Si3 1 5.00678653 -0.00000000 2.48720916 1 [/CIF]
AlCd2Si
C2/m
12
monoclinic
2/m
5,924.674964
false
[CIF] data_Mg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19268456 _cell_length_b 3.19268456 _cell_length_c 3.19268456 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg _chemical_formula_sum Mg1 _cell_volume 23.01192960 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 [/CIF]
Mg
Fm-3m
225
cubic
m-3m
1,753.846927
false
[CIF] data_Sr2ZrMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15556523 _cell_length_b 5.50321824 _cell_length_c 6.20998382 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2ZrMo _chemical_formula_sum 'Sr2 Zr1 Mo1' _cell_volume 107.84111428 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.10499191 1 Sr Sr1 1 1.57778262 2.75160912 4.60120616 1 Sr Sr2 1 1.57778262 2.75160912 1.60877766 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MoSr2Zr
Pmmm
47
orthorhombic
mmm
5,580.610092
false
[CIF] data_ZrAlGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.48609659 _cell_length_b 8.48609659 _cell_length_c 8.48609659 _cell_angle_alpha 22.00681192 _cell_angle_beta 22.00681192 _cell_angle_gamma 22.00681192 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAlGe2 _chemical_formula_sum 'Zr1 Al1 Ge2' _cell_volume 75.22554947 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Ge Ge1 1 -0.00000000 0.00000000 18.49398642 1 Ge Ge2 1 -0.00000000 0.00000000 6.33830408 1 Zr Zr3 1 0.00000000 0.00000000 12.41614525 1 [/CIF]
AlGe2Zr
R-3m
166
trigonal
-3m
5,816.215809
false
[CIF] data_TiInGe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.57536695 _cell_length_b 5.57536695 _cell_length_c 5.57536695 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiInGe4 _chemical_formula_sum 'Ti1 In1 Ge4' _cell_volume 122.54775843 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 4.93190310 4.93190310 2.95285646 1 Ge Ge1 1 4.93190310 2.95285646 4.93190310 1 Ge Ge2 1 2.95285646 4.93190310 4.93190310 1 Ge Ge3 1 2.95285646 2.95285646 2.95285646 1 In In4 1 5.91356967 5.91356967 5.91356967 1 Ti Ti5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ge4InTi
F-43m
216
cubic
-43m
6,141.532403
false
[CIF] data_Nb3Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86997224 _cell_length_b 4.86997224 _cell_length_c 4.86997224 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3Rh _chemical_formula_sum 'Nb3 Rh1' _cell_volume 115.49932787 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.43498612 1 Nb Nb1 1 0.00000000 2.43498612 0.00000000 1 Nb Nb2 1 2.43498612 0.00000000 0.00000000 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Nb3Rh
Pm-3m
221
cubic
m-3m
5,486.634729
false
[CIF] data_FePIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44545852 _cell_length_b 4.44545852 _cell_length_c 4.44545852 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FePIr3 _chemical_formula_sum 'Fe1 P1 Ir3' _cell_volume 87.85160228 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 2.22272926 0.00000000 2.22272926 1 Ir Ir2 1 2.22272926 2.22272926 0.00000000 1 Ir Ir3 1 0.00000000 2.22272926 2.22272926 1 Fe Fe4 1 2.22272926 2.22272926 2.22272926 1 [/CIF]
FeIr3P
Pm-3m
221
cubic
m-3m
12,540.664379
false
[CIF] data_NaGaSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12333577 _cell_length_b 5.12471640 _cell_length_c 6.32699408 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.27432713 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaGaSn2 _chemical_formula_sum 'Na1 Ga1 Sn2' _cell_volume 101.24614926 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.49131370 0.00000000 3.16271463 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 1.66169050 2.56235820 1.59919072 1 Sn Sn3 1 1.32093691 2.56235820 4.72623853 1 [/CIF]
GaNaSn2
P2/m
10
monoclinic
2/m
5,414.51072
false
[CIF] data_Ga2ReTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76413659 _cell_length_b 2.76413659 _cell_length_c 8.96124372 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.38275245 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2ReTc _chemical_formula_sum 'Ga2 Re1 Tc1' _cell_volume 63.30961758 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53802277 0.00000000 0.11460015 1 Ga Ga1 1 0.00000000 0.00000000 6.63419333 1 Re Re2 1 1.53802277 0.00000000 4.39234411 1 Tc Tc3 1 0.00000000 0.00000000 2.30072790 1 [/CIF]
Ga2ReTc
Cmm2
35
orthorhombic
mm2
11,135.70362
false
[CIF] data_MnCd3Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04748146 _cell_length_b 5.04748146 _cell_length_c 5.04748146 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCd3Pd _chemical_formula_sum 'Mn1 Cd3 Pd1' _cell_volume 128.59503388 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 2.52374073 2.52374073 2.52374073 1 Cd Cd2 1 0.00000000 2.52374073 0.00000000 1 Cd Cd3 1 0.00000000 0.00000000 2.52374073 1 Cd Cd4 1 2.52374073 0.00000000 0.00000000 1 [/CIF]
Cd3MnPd
Pm-3m
221
cubic
m-3m
6,438.272797
false
[CIF] data_TaCdW4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33058672 _cell_length_b 5.33058672 _cell_length_c 5.33058672 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCdW4 _chemical_formula_sum 'Ta1 Cd1 W4' _cell_volume 107.10507313 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ta Ta1 1 1.88464701 1.88464701 1.88464701 1 W W2 1 2.82156374 2.82156374 4.71702430 1 W W3 1 2.82156374 4.71702430 2.82156374 1 W W4 1 4.71702430 2.82156374 2.82156374 1 W W5 1 4.71702430 4.71702430 4.71702430 1 [/CIF]
CdTaW4
F-43m
216
cubic
-43m
15,949.084752
false
[CIF] data_ZrReSnPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87213977 _cell_length_b 4.87213977 _cell_length_c 4.87213977 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrReSnPb _chemical_formula_sum 'Zr1 Re1 Sn1 Pb1' _cell_volume 81.77945615 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 1.72256154 1.72256154 1.72256154 1 Re Re1 1 3.44512307 3.44512307 3.44512307 1 Sn Sn2 1 5.16768461 5.16768461 5.16768460 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PbReSnZr
F-43m
216
cubic
-43m
12,250.892194
false
[CIF] data_ZrTiAl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66809012 _cell_length_b 4.66809012 _cell_length_c 4.66809012 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTiAl2 _chemical_formula_sum 'Zr1 Ti1 Al2' _cell_volume 71.92878059 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Al Al1 1 1.65041909 1.65041909 1.65041909 1 Ti Ti2 1 3.30083818 3.30083818 3.30083818 1 Zr Zr3 1 4.95125727 4.95125727 4.95125727 1 [/CIF]
Al2TiZr
F-43m
216
cubic
-43m
4,456.822909
false
[CIF] data_AgBi2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.04929927 _cell_length_b 7.04929927 _cell_length_c 7.04929927 _cell_angle_alpha 151.67875561 _cell_angle_beta 136.86314941 _cell_angle_gamma 52.40874887 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgBi2Br _chemical_formula_sum 'Ag1 Bi2 Br1' _cell_volume 113.06239776 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.59140780 3.52027977 1 Bi Bi1 1 -0.00000000 0.00000000 0.05342259 1 Bi Bi2 1 1.72454801 0.00000000 2.85381836 1 Br Br3 1 -0.00000000 0.00000000 6.22208941 1 [/CIF]
AgBi2Br
Imm2
44
orthorhombic
mm2
8,896.355732
false
[CIF] data_ZrAl2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46336953 _cell_length_b 5.46336953 _cell_length_c 5.23193387 _cell_angle_alpha 100.46450076 _cell_angle_beta 100.46450076 _cell_angle_gamma 34.20824129 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAl2Pb _chemical_formula_sum 'Zr1 Al2 Pb1' _cell_volume 86.19645045 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.91010142 0.00000000 4.04009560 1 Al Al1 1 7.53913871 -0.00000000 1.09650244 1 Pb Pb2 1 4.72462007 0.00000000 2.56829902 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2PbZr
C2/m
12
monoclinic
2/m
6,788.591702
false
[CIF] data_Li4TaCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17093562 _cell_length_b 5.17093562 _cell_length_c 5.17093562 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4TaCd _chemical_formula_sum 'Li4 Ta1 Cd1' _cell_volume 97.76702353 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Li Li1 1 4.56721120 4.56721120 2.74559608 1 Li Li2 1 4.56721120 2.74559608 4.56721120 1 Li Li3 1 2.74559608 4.56721120 4.56721120 1 Li Li4 1 2.74559608 2.74559608 2.74559608 1 Ta Ta5 1 5.48460546 5.48460546 5.48460546 1 [/CIF]
CdLi4Ta
F-43m
216
cubic
-43m
5,454.161006
false
[CIF] data_TlOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.36354594 _cell_length_b 6.36354594 _cell_length_c 6.36354594 _cell_angle_alpha 137.98364375 _cell_angle_beta 135.88201273 _cell_angle_gamma 62.55728312 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlOs2 _chemical_formula_sum 'Tl2 Os4' _cell_volume 118.60916275 _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 Os Os0 1 2.28133886 1.19495001 4.81053371 1 Os Os1 1 0.00000000 1.19495001 0.62808632 1 Os Os2 1 2.28133886 1.19495001 2.26973552 1 Os Os3 1 -0.00000000 1.19495001 3.16888451 1 Tl Tl4 1 0.00000000 1.19495001 6.57320177 1 Tl Tl5 1 2.28133886 1.19495001 -1.13458174 1 [/CIF]
Os8Tl4
Imma
74
orthorhombic
mmm
16,375.718788
false
[CIF] data_BaAlHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45738011 _cell_length_b 5.45738011 _cell_length_c 5.45738011 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaAlHg2 _chemical_formula_sum 'Ba1 Al1 Hg2' _cell_volume 114.93111294 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ba Ba1 1 5.78842572 5.78842572 5.78842572 1 Hg Hg2 1 3.85895048 3.85895048 3.85895048 1 Hg Hg3 1 1.92947524 1.92947524 1.92947524 1 [/CIF]
AlBaHg2
F-43m
216
cubic
-43m
8,170.248996
false
[CIF] data_HfSiOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14828351 _cell_length_b 5.14828351 _cell_length_c 5.14828351 _cell_angle_alpha 145.89992470 _cell_angle_beta 125.46857763 _cell_angle_gamma 65.90090851 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSiOs2 _chemical_formula_sum 'Hf1 Si1 Os2' _cell_volume 61.52242324 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.32013692 1 Os Os1 1 1.50951150 -0.00000000 1.92500912 1 Os Os2 1 -0.00000000 2.35851968 2.39512780 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfOs2Si
Immm
71
orthorhombic
mmm
15,844.55439
false
[CIF] data_KCa2Al _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.07942029 _cell_length_b 6.07942029 _cell_length_c 6.07942029 _cell_angle_alpha 126.46880802 _cell_angle_beta 126.46880802 _cell_angle_gamma 79.11897954 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCa2Al _chemical_formula_sum 'K1 Ca2 Al1' _cell_volume 140.52848867 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ca Ca1 1 2.73781522 -0.00000000 2.34350628 1 Ca Ca2 1 0.00000000 -0.00000000 4.68701256 1 K K3 1 -0.00000000 2.73781522 2.34350628 1 [/CIF]
AlCa2K
I-4m2
119
tetragonal
-42m
1,727.979325
false
[CIF] data_CoPt3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88565450 _cell_length_b 3.88565450 _cell_length_c 3.88565450 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoPt3 _chemical_formula_sum 'Co1 Pt3' _cell_volume 58.66681967 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.94282725 1.94282725 0.00000000 1 Pt Pt2 1 1.94282725 0.00000000 1.94282725 1 Pt Pt3 1 0.00000000 1.94282725 1.94282725 1 [/CIF]
CoPt3
Pm-3m
221
cubic
m-3m
18,233.384535
false
[CIF] data_CoIrPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29844275 _cell_length_b 4.29844275 _cell_length_c 2.67338075 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoIrPt _chemical_formula_sum 'Co1 Ir1 Pt1' _cell_volume 42.77733676 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.65918887 1 Ir Ir1 1 -0.00000000 2.48170708 0.70230271 1 Pt Pt2 1 2.14922138 1.24085354 1.98526992 1 [/CIF]
CoIrPt
P3m1
156
trigonal
3m
17,322.006675
false
[CIF] data_AgBi2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06924864 _cell_length_b 5.06924864 _cell_length_c 5.06924864 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgBi2Pd _chemical_formula_sum 'Ag1 Bi2 Pd1' _cell_volume 92.11190889 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 3.58450009 3.58450009 3.58450009 1 Bi Bi1 1 1.79225005 1.79225005 1.79225005 1 Bi Bi2 1 5.37675014 5.37675014 5.37675014 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgBi2Pd
Fm-3m
225
cubic
m-3m
11,397.81139
false
[CIF] data_Sr2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.32965100 _cell_length_b 5.39580200 _cell_length_c 10.11768700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2Sn _chemical_formula_sum 'Sr8 Sn4' _cell_volume 454.74093483 _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 Sn Sn0 1 2.07435773 4.04685150 6.13259533 1 Sn Sn1 1 6.23918323 4.04685150 9.04393517 1 Sn Sn2 1 2.09046777 1.34895050 1.07375183 1 Sn Sn3 1 6.25529327 1.34895050 3.98509167 1 Sr Sr4 1 5.48883777 4.04685150 5.80107535 1 Sr Sr5 1 8.15617785 1.34895050 6.91456525 1 Sr Sr6 1 3.99135235 1.34895050 8.26196525 1 Sr Sr7 1 1.32401227 4.04685150 9.37545515 1 Sr Sr8 1 7.00563873 1.34895050 0.74223185 1 Sr Sr9 1 4.33829865 4.04685150 1.85572175 1 Sr Sr10 1 0.17347315 4.04685150 3.20312175 1 Sr Sr11 1 2.84081323 1.34895050 4.31661165 1 [/CIF]
Sn4Sr8
Pnma
62
orthorhombic
mmm
4,293.569558
false
[CIF] data_ScFeIrPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55820438 _cell_length_b 4.55820438 _cell_length_c 4.55820438 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScFeIrPb _chemical_formula_sum 'Sc1 Fe1 Ir1 Pb1' _cell_volume 66.96785455 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 1.61156862 1.61156861 1.61156862 1 Ir Ir1 1 4.83470585 4.83470585 4.83470584 1 Pb Pb2 1 3.22313723 3.22313723 3.22313723 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FeIrPbSc
F-43m
216
cubic
-43m
12,403.434309
false
[CIF] data_MnSnHgRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65743381 _cell_length_b 4.65743381 _cell_length_c 4.65743381 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnSnHgRu _chemical_formula_sum 'Mn1 Sn1 Hg1 Ru1' _cell_volume 71.43730740 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.29330303 3.29330303 3.29330303 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 4.93995454 4.93995455 4.93995455 1 Sn Sn3 1 1.64665152 1.64665152 1.64665152 1 [/CIF]
HgMnRuSn
F-43m
216
cubic
-43m
11,048.394825
false
[CIF] data_BeGaPtPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68549806 _cell_length_b 4.68549806 _cell_length_c 4.68549806 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeGaPtPb _chemical_formula_sum 'Be1 Ga1 Pt1 Pb1' _cell_volume 72.73648147 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.96972118 4.96972118 4.96972118 1 Pb Pb2 1 1.65657373 1.65657373 1.65657372 1 Pt Pt3 1 3.31314745 3.31314745 3.31314745 1 [/CIF]
BeGaPbPt
F-43m
216
cubic
-43m
10,981.437752
false
[CIF] data_BeCrBiPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47143272 _cell_length_b 4.47143272 _cell_length_c 4.47143272 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCrBiPt _chemical_formula_sum 'Be1 Cr1 Bi1 Pt1' _cell_volume 63.21572228 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Bi Bi1 1 3.16178040 3.16178040 3.16178040 1 Cr Cr2 1 1.58089020 1.58089020 1.58089020 1 Pt Pt3 1 4.74267060 4.74267060 4.74267060 1 [/CIF]
BeBiCrPt
F-43m
216
cubic
-43m
12,216.444412
false
[CIF] data_Al2CdSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.84787655 _cell_length_b 6.84787655 _cell_length_c 6.84787655 _cell_angle_alpha 129.15695849 _cell_angle_beta 129.15695849 _cell_angle_gamma 74.75815172 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2CdSe4 _chemical_formula_sum 'Al2 Cd1 Se4' _cell_volume 188.09020846 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.93961812 2.72078591 1 Al Al1 1 0.00000000 0.00000000 0.00000000 1 Se Se2 1 1.35169561 4.52189838 -1.49014734 1 Se Se3 1 1.58792250 -1.58228026 3.95142448 1 Se Se4 1 1.58228026 1.58792250 6.93171916 1 Se Se5 1 1.35733786 1.35169561 1.49014734 1 Cd Cd6 1 0.00000000 -0.00000000 5.44157182 1 [/CIF]
Al2CdSe4
I-4
82
tetragonal
-4
4,257.187656
false
[CIF] data_KYP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.60257247 _cell_length_b 7.60257247 _cell_length_c 7.60257247 _cell_angle_alpha 150.85861968 _cell_angle_beta 150.85861968 _cell_angle_gamma 41.68248494 _symmetry_Int_Tables_number 1 _chemical_formula_structural KYP _chemical_formula_sum 'K1 Y1 P1' _cell_volume 103.96471409 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.20815530 1 P P1 1 0.00000000 0.00000000 10.24623347 1 Y Y2 1 0.00000000 0.00000000 3.75588097 1 [/CIF]
KPY
I4mm
107
tetragonal
4mm
2,539.21772
false
[CIF] data_BaGe2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11701404 _cell_length_b 5.11701404 _cell_length_c 5.11701404 _cell_angle_alpha 122.50160928 _cell_angle_beta 122.50160928 _cell_angle_gamma 85.71908332 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaGe2Mo _chemical_formula_sum 'Ba1 Ge2 Mo1' _cell_volume 90.88145867 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.75089100 1 Ge Ge1 1 -0.00000000 2.46116328 1.87544550 1 Ge Ge2 1 2.46116328 -0.00000000 1.87544550 1 Mo Mo3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaGe2Mo
I4/mmm
139
tetragonal
4/mmm
6,916.98067
false
[CIF] data_BaMnCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45206939 _cell_length_b 3.45206939 _cell_length_c 8.24585285 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMnCd2 _chemical_formula_sum 'Ba1 Mn1 Cd2' _cell_volume 98.26403967 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.12292643 1 Cd Cd1 1 1.72603470 1.72603470 6.79405106 1 Cd Cd2 1 1.72603470 1.72603470 1.45180179 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaCd2Mn
P4/mmm
123
tetragonal
4/mmm
7,048.248115
false
[CIF] data_BaNaAgPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36367895 _cell_length_b 5.36367895 _cell_length_c 5.36367895 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNaAgPt _chemical_formula_sum 'Ba1 Na1 Ag1 Pt1' _cell_volume 109.11220368 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.68904064 5.68904064 5.68904064 1 Ba Ba1 1 3.79269376 3.79269376 3.79269376 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 1.89634688 1.89634688 1.89634688 1 [/CIF]
AgBaNaPt
F-43m
216
cubic
-43m
7,050.322475
false
[CIF] data_CrTcAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28852295 _cell_length_b 4.28852295 _cell_length_c 3.03258543 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrTcAs2 _chemical_formula_sum 'Cr1 Tc1 As2' _cell_volume 55.77358001 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.14426148 0.00000000 1.51629272 1 As As1 1 0.00000000 2.14426148 1.51629272 1 Cr Cr2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 2.14426148 2.14426148 0.00000000 1 [/CIF]
As2CrTc
P4/mmm
123
tetragonal
4/mmm
8,954.096983
false
[CIF] data_CuSiRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89457686 _cell_length_b 2.89457686 _cell_length_c 6.31773365 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuSiRh2 _chemical_formula_sum 'Cu1 Si1 Rh2' _cell_volume 52.93360647 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.15886683 1 Rh Rh1 1 1.44728843 1.44728843 4.91074783 1 Rh Rh2 1 1.44728843 1.44728843 1.40698582 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CuRh2Si
P4/mmm
123
tetragonal
4/mmm
9,330.837709
false