Datasets:
n0w0f
/
nomad-structure-csv

Dataset card Data Studio Files
xet
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_Hg3W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46439586 _cell_length_b 5.46439586 _cell_length_c 5.38653421 _cell_angle_alpha 102.25179982 _cell_angle_beta 102.25179982 _cell_angle_gamma 31.49419719 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg3W _chemical_formula_sum 'Hg3 W1' _cell_volume 81.95692898 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.48762106 -0.00000000 1.22898901 1 Hg Hg1 1 1.84336095 -0.00000000 4.02498659 1 Hg Hg2 1 4.66549100 -0.00000000 2.62698780 1 W W3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hg3W
C2/m
12
monoclinic
2/m
15,917.337465
false
[CIF] data_Mg2CrSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96952935 _cell_length_b 4.96952935 _cell_length_c 4.96952935 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2CrSb _chemical_formula_sum 'Mg2 Cr1 Sb1' _cell_volume 86.78222501 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 1.75699395 1.75699395 1.75699395 1 Mg Mg2 1 5.27098185 5.27098185 5.27098185 1 Sb Sb3 1 3.51398790 3.51398790 3.51398790 1 [/CIF]
CrMg2Sb
Fm-3m
225
cubic
m-3m
4,254.875881
false
[CIF] data_BN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48500000 _cell_length_b 2.48500000 _cell_length_c 6.49000000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BN _chemical_formula_sum 'B2 N2' _cell_volume 34.70788221 _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 N N0 1 0.00000000 1.43471542 4.86750000 1 N N1 1 1.24250000 0.71735771 1.62250000 1 B B2 1 0.00000000 1.43471542 1.62250000 1 B B3 1 1.24250000 0.71735771 4.86750000 1 [/CIF]
B2N2
P6_3/mmc
194
hexagonal
6/mmm
2,374.72054
false
[CIF] data_BeAl2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04117672 _cell_length_b 4.04117672 _cell_length_c 4.04117672 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeAl2Co _chemical_formula_sum 'Be1 Al2 Co1' _cell_volume 46.66685444 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.42877173 1.42877173 1.42877173 1 Al Al1 1 4.28631519 4.28631519 4.28631519 1 Be Be2 1 0.00000000 0.00000000 0.00000000 1 Co Co3 1 2.85754346 2.85754346 2.85754346 1 [/CIF]
Al2BeCo
Fm-3m
225
cubic
m-3m
4,337.848634
false
[CIF] data_VB2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81118015 _cell_length_b 3.81118015 _cell_length_c 3.81118015 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VB2Os _chemical_formula_sum 'V1 B2 Os1' _cell_volume 39.14384080 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.04236700 4.04236700 4.04236700 1 B B1 1 1.34745567 1.34745567 1.34745567 1 Os Os2 1 2.69491133 2.69491133 2.69491133 1 V V3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
B2OsV
Fm-3m
225
cubic
m-3m
11,148.085222
false
[CIF] data_ScTaMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47269161 _cell_length_b 4.47269161 _cell_length_c 4.47269161 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTaMo _chemical_formula_sum 'Sc1 Ta1 Mo1' _cell_volume 63.26913072 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.58133528 1.58133529 1.58133528 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 3.16267057 3.16267057 3.16267057 1 [/CIF]
MoScTa
F-43m
216
cubic
-43m
8,447.522427
false
[CIF] data_GaPt2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.70338824 _cell_length_b 8.70338824 _cell_length_c 8.70338824 _cell_angle_alpha 18.95969235 _cell_angle_beta 18.95969235 _cell_angle_gamma 18.95969235 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaPt2Rh _chemical_formula_sum 'Ga1 Pt2 Rh1' _cell_volume 60.82008157 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 -0.00000000 -0.00000000 -0.00000000 1 Pt Pt1 1 0.00000000 -0.00000000 6.53243981 1 Pt Pt2 1 -0.00000000 0.00000000 19.10119477 1 Rh Rh3 1 -0.00000000 -0.00000000 12.81681729 1 [/CIF]
GaPt2Rh
R-3m
166
trigonal
-3m
15,365.740218
false
[CIF] data_ScBiPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.47406862 _cell_length_b 3.47406862 _cell_length_c 6.53937271 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScBiPd2 _chemical_formula_sum 'Sc1 Bi1 Pd2' _cell_volume 78.92468830 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 0.00000000 0.00000000 3.26968636 1 Pd Pd1 1 1.73703431 1.73703431 5.12526632 1 Pd Pd2 1 1.73703431 1.73703431 1.41410639 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiPd2Sc
P4/mmm
123
tetragonal
4/mmm
9,820.758474
false
[CIF] data_SrLa2Be _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.25695742 _cell_length_b 6.25695742 _cell_length_c 6.25695742 _cell_angle_alpha 133.94999232 _cell_angle_beta 133.94999232 _cell_angle_gamma 67.16612611 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLa2Be _chemical_formula_sum 'Sr1 La2 Be1' _cell_volume 124.87838328 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 2.44730127 0.00000000 2.60628803 1 La La2 1 0.00000000 -0.00000000 5.21257606 1 Sr Sr3 1 -0.00000000 2.44730127 2.60628803 1 [/CIF]
BeLa2Sr
I-4m2
119
tetragonal
-42m
4,979.063758
false
[CIF] data_CaCuSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55136107 _cell_length_b 4.55136107 _cell_length_c 4.45599179 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCuSn2 _chemical_formula_sum 'Ca1 Cu1 Sn2' _cell_volume 92.30536903 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.27568053 2.27568053 0.00000000 1 Sn Sn2 1 2.27568053 0.00000000 2.22799589 1 Sn Sn3 1 0.00000000 2.27568053 2.22799589 1 [/CIF]
CaCuSn2
P4/mmm
123
tetragonal
4/mmm
6,135.254009
false
[CIF] data_ZrAlIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65855090 _cell_length_b 4.65855090 _cell_length_c 4.65855090 _cell_angle_alpha 125.57177572 _cell_angle_beta 125.57177572 _cell_angle_gamma 80.59310291 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAlIr2 _chemical_formula_sum 'Zr1 Al1 Ir2' _cell_volume 64.50673451 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 2.13043442 1.77655529 1 Ir Ir2 1 2.13043442 -0.00000000 1.77655529 1 Zr Zr3 1 0.00000000 0.00000000 3.55311058 1 [/CIF]
AlIr2Zr
I4/mmm
139
tetragonal
4/mmm
12,939.419568
false
[CIF] data_AgPC3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.70373486 _cell_length_b 3.70373486 _cell_length_c 3.70373486 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgPC3 _chemical_formula_sum 'Ag1 P1 C3' _cell_volume 50.80654559 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 C C1 1 0.00000000 1.85186743 0.00000000 1 C C2 1 0.00000000 0.00000000 1.85186743 1 C C3 1 1.85186743 0.00000000 0.00000000 1 Ag Ag4 1 1.85186743 1.85186743 1.85186743 1 [/CIF]
C3AgP
Pm-3m
221
cubic
m-3m
5,715.50788
false
[CIF] data_AsRhAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04814286 _cell_length_b 3.22787341 _cell_length_c 6.97835370 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AsRhAu2 _chemical_formula_sum 'As1 Rh1 Au2' _cell_volume 68.66015665 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.94081503 1 Au Au1 1 1.52407143 1.61393670 6.95692031 1 Au Au2 1 0.00000000 0.00000000 1.82231486 1 Rh Rh3 1 1.52407143 1.61393670 3.72583397 1 [/CIF]
AsAu2Rh
Pmm2
25
orthorhombic
mm2
13,827.964547
false
[CIF] data_LaYSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.43085647 _cell_length_b 7.43085647 _cell_length_c 7.43085647 _cell_angle_alpha 153.07902919 _cell_angle_beta 153.07902919 _cell_angle_gamma 38.43961980 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaYSi _chemical_formula_sum 'La1 Y1 Si1' _cell_volume 83.97325138 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 13.59581498 1 Si Si1 1 0.00000000 -0.00000000 4.60070076 1 Y Y2 1 -0.00000000 0.00000000 9.87020394 1 [/CIF]
LaSiY
I4mm
107
tetragonal
4mm
5,060.350163
false
[CIF] data_ScSnBiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92581479 _cell_length_b 4.92581479 _cell_length_c 4.92581479 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScSnBiIr _chemical_formula_sum 'Sc1 Sn1 Bi1 Ir1' _cell_volume 84.51216687 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.22461556 5.22461556 5.22461556 1 Ir Ir1 1 3.48307704 3.48307704 3.48307704 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 1.74153852 1.74153852 1.74153852 1 [/CIF]
BiIrScSn
F-43m
216
cubic
-43m
11,098.728522
false
[CIF] data_TlGaTcOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56751885 _cell_length_b 4.56751885 _cell_length_c 4.56751885 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlGaTcOs _chemical_formula_sum 'Tl1 Ga1 Tc1 Os1' _cell_volume 67.37923043 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 4.84458533 4.84458533 4.84458533 1 Tc Tc2 1 3.22972355 3.22972355 3.22972355 1 Tl Tl3 1 1.61486177 1.61486177 1.61486178 1 [/CIF]
GaOsTcTl
F-43m
216
cubic
-43m
13,880.926945
false
[CIF] data_HfW2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26770479 _cell_length_b 4.26770479 _cell_length_c 3.31669527 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 101.05742509 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfW2C _chemical_formula_sum 'Hf1 W2 C1' _cell_volume 59.28653299 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Hf Hf1 1 2.71294348 -0.00000000 0.00000000 1 W W2 1 1.35647174 -1.64721294 1.65834763 1 W W3 1 1.35647174 1.64721294 1.65834763 1 [/CIF]
CHfW2
Cmmm
65
orthorhombic
mmm
15,633.919067
false
[CIF] data_BiRh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41697592 _cell_length_b 3.41697592 _cell_length_c 5.85264263 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiRh3 _chemical_formula_sum 'Bi1 Rh3' _cell_volume 68.33384258 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 0.00000000 0.00000000 2.92632132 1 Rh Rh1 1 1.70848796 1.70848796 1.29849375 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 Rh Rh3 1 1.70848796 1.70848796 4.55414888 1 [/CIF]
BiRh3
P4/mmm
123
tetragonal
4/mmm
12,580.236888
false
[CIF] data_CdCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50943526 _cell_length_b 5.50943526 _cell_length_c 4.49737963 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 150.45641203 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdCu _chemical_formula_sum 'Cd2 Cu2' _cell_volume 67.31254128 _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 Cd Cd0 1 1.40473945 -0.90754922 3.37303472 1 Cd Cd1 1 1.40473945 0.90754922 1.12434491 1 Cu Cu2 1 1.40473945 -3.55342721 3.37303472 1 Cu Cu3 1 1.40473945 3.55342721 1.12434491 1 [/CIF]
Cd2Cu2
Cmcm
63
orthorhombic
mmm
8,681.397759
false
[CIF] data_MgMn2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13209495 _cell_length_b 4.13209495 _cell_length_c 3.93425614 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgMn2In _chemical_formula_sum 'Mg1 Mn2 In1' _cell_volume 67.17431032 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.06604747 2.06604747 0.00000000 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Mn Mn2 1 0.00000000 2.06604747 1.96712807 1 Mn Mn3 1 2.06604747 0.00000000 1.96712807 1 [/CIF]
InMgMn2
P4/mmm
123
tetragonal
4/mmm
6,155.220865
false
[CIF] data_NaNiAu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49786583 _cell_length_b 5.49786583 _cell_length_c 5.49786583 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaNiAu4 _chemical_formula_sum 'Na1 Ni1 Au4' _cell_volume 117.50799425 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.91679584 2.91679584 4.85836058 1 Au Au1 1 2.91679584 4.85836058 2.91679584 1 Au Au2 1 4.85836058 2.91679584 2.91679584 1 Au Au3 1 4.85836058 4.85836058 4.85836058 1 Na Na4 1 0.00000000 0.00000000 0.00000000 1 Ni Ni5 1 1.94378910 1.94378911 1.94378910 1 [/CIF]
Au4NaNi
F-43m
216
cubic
-43m
12,287.851847
false
[CIF] data_GaAgHgPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68395518 _cell_length_b 4.68395518 _cell_length_c 4.68395518 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaAgHgPd _chemical_formula_sum 'Ga1 Ag1 Hg1 Pd1' _cell_volume 72.66465135 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.65602823 1.65602823 1.65602824 1 Ga Ga1 1 -0.00000000 -0.00000000 0.00000000 1 Hg Hg2 1 4.96808470 4.96808470 4.96808471 1 Pd Pd3 1 3.31205647 3.31205647 3.31205647 1 [/CIF]
AgGaHgPd
F-43m
216
cubic
-43m
11,074.149663
false
[CIF] data_Tb2B6Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.18229736 _cell_length_b 11.55002970 _cell_length_c 3.66928454 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb2B6Os _chemical_formula_sum 'Tb8 B24 Os4' _cell_volume 389.14893382 _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 B B0 1 5.61390941 0.35667670 0.00000000 1 B B1 1 0.49308928 0.77741113 0.00000000 1 B B2 1 2.26857802 0.92402859 0.00000000 1 B B3 1 5.80557959 2.14714093 0.00000000 1 B B4 1 9.03525214 2.46029862 0.00000000 1 B B5 1 2.66577647 2.68845375 0.00000000 1 B B6 1 7.25692515 3.08656110 0.00000000 1 B B7 1 4.44410346 3.31471623 0.00000000 1 B B8 1 1.21443091 3.62787392 0.00000000 1 B B9 1 6.85972670 4.85098626 0.00000000 1 B B10 1 5.08423796 4.99760372 0.00000000 1 B B11 1 1.02276073 5.41833815 0.00000000 1 B B12 1 8.15953663 6.13169155 0.00000000 1 B B13 1 4.09805940 6.55242598 0.00000000 1 B B14 1 2.32257066 6.69904344 0.00000000 1 B B15 1 7.96786645 7.92215578 0.00000000 1 B B16 1 4.73819390 8.23531347 0.00000000 1 B B17 1 1.92537221 8.46346860 0.00000000 1 B B18 1 6.51652089 8.86157595 0.00000000 1 B B19 1 0.14704522 9.08973108 0.00000000 1 B B20 1 3.37671777 9.40288877 0.00000000 1 B B21 1 6.91371934 10.62600111 0.00000000 1 B B22 1 8.68920808 10.77261857 0.00000000 1 B B23 1 3.56838795 11.19335300 0.00000000 1 Os Os24 1 1.26120810 2.05965639 1.83464227 1 Os Os25 1 5.85235678 3.71535846 1.83464227 1 Os Os26 1 3.32994058 7.83467124 1.83464227 1 Os Os27 1 7.92108926 9.49037331 1.83464227 1 Tb Tb28 1 7.55430992 0.99845433 1.83464227 1 Tb Tb29 1 4.07705545 1.46359586 1.83464227 1 Tb Tb30 1 8.66820413 4.31141899 1.83464227 1 Tb Tb31 1 2.96316124 4.77656052 1.83464227 1 Tb Tb32 1 6.21913612 6.77346918 1.83464227 1 Tb Tb33 1 0.51409323 7.23861071 1.83464227 1 Tb Tb34 1 5.10524191 10.08643384 1.83464227 1 Tb Tb35 1 1.62798744 10.55157537 1.83464227 1 [/CIF]
B24Os4Tb8
Pbam
55
orthorhombic
mmm
9,779.293178
false
[CIF] data_ZrSbW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33962204 _cell_length_b 5.33962204 _cell_length_c 5.33962204 _cell_angle_alpha 140.98347300 _cell_angle_beta 140.98347300 _cell_angle_gamma 56.36303498 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSbW _chemical_formula_sum 'Zr1 Sb1 W1' _cell_volume 59.85994220 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sb Sb0 1 -0.00000000 0.00000000 9.32084600 1 W W1 1 0.00000000 0.00000000 3.17407277 1 Zr Zr2 1 0.00000000 -0.00000000 6.33164538 1 [/CIF]
SbWZr
I4mm
107
tetragonal
4mm
11,008.09771
false
[CIF] data_TlCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91511395 _cell_length_b 5.91511395 _cell_length_c 5.91511395 _cell_angle_alpha 50.83782592 _cell_angle_beta 50.83782592 _cell_angle_gamma 50.83782592 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlCd _chemical_formula_sum 'Tl2 Cd2' _cell_volume 114.72334248 _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 Cd Cd0 1 -0.00000000 -0.00000000 2.31518190 1 Cd Cd1 1 -0.00000000 0.00000000 13.09718676 1 Tl Tl2 1 -0.00000000 0.00000000 5.94494839 1 Tl Tl3 1 -0.00000000 0.00000000 9.46742028 1 [/CIF]
Cd2Tl2
R-3m
166
trigonal
-3m
9,170.745899
false
[CIF] data_SrNbP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64170925 _cell_length_b 4.64170925 _cell_length_c 4.64170925 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrNbP _chemical_formula_sum 'Sr1 Nb1 P1' _cell_volume 70.71618178 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.92327614 4.92327614 4.92327614 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 1.64109204 1.64109204 1.64109204 1 [/CIF]
NbPSr
F-43m
216
cubic
-43m
4,966.39156
false
[CIF] data_BaNaBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.25691465 _cell_length_b 6.25691465 _cell_length_c 6.25691465 _cell_angle_alpha 129.92336280 _cell_angle_beta 129.92336280 _cell_angle_gamma 73.52931155 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNaBi2 _chemical_formula_sum 'Ba1 Na1 Bi2' _cell_volume 140.59471436 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.01241896 1 Bi Bi1 1 0.00000000 2.64807828 2.50620948 1 Bi Bi2 1 2.64807828 0.00000000 2.50620948 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaBi2Na
I4/mmm
139
tetragonal
4/mmm
6,829.933113
false
[CIF] data_ZnCd2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32825332 _cell_length_b 4.00648236 _cell_length_c 5.79975944 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCd2Au _chemical_formula_sum 'Zn1 Cd2 Au1' _cell_volume 77.33740389 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.89987972 1 Cd Cd1 1 1.66412666 2.00324118 4.36472142 1 Cd Cd2 1 1.66412666 2.00324118 1.43503802 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuCd2Zn
Pmmm
47
orthorhombic
mmm
10,460.170632
false
[CIF] data_ScCoBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.14279158 _cell_length_b 6.14279158 _cell_length_c 6.14279158 _cell_angle_alpha 148.62180737 _cell_angle_beta 131.76881580 _cell_angle_gamma 58.67608789 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCoBi2 _chemical_formula_sum 'Sc1 Co1 Bi2' _cell_volume 89.30106247 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 -0.00000000 2.50981477 5.34264737 1 Bi Bi1 1 0.00000000 -0.00000000 3.11841630 1 Co Co2 1 -0.00000000 2.50981477 0.09289808 1 Sc Sc3 1 0.00000000 0.00000000 7.51086585 1 [/CIF]
Bi2CoSc
Imm2
44
orthorhombic
mm2
9,703.716098
false
[CIF] data_SrCa2Mn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.72668959 _cell_length_b 4.16645250 _cell_length_c 8.32937479 _cell_angle_alpha 90.00000000 _cell_angle_beta 97.13354555 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCa2Mn _chemical_formula_sum 'Sr1 Ca2 Mn1' _cell_volume 128.32973042 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.03178844 0.00000000 0.29051852 1 Ca Ca1 1 1.73966038 2.08322625 2.51221170 1 Mn Mn2 1 3.23535071 0.00000000 3.84822798 1 Sr Sr3 1 0.89503644 2.08322625 5.74639246 1 [/CIF]
Ca2MnSr
Pm
6
monoclinic
m
2,881.837055
false
[CIF] data_MnBi2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56456104 _cell_length_b 3.78826203 _cell_length_c 7.01793140 _cell_angle_alpha 90.00000000 _cell_angle_beta 94.03354678 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnBi2Se _chemical_formula_sum 'Mn1 Bi2 Se1' _cell_volume 94.53184180 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.41946787 1.89413101 5.40806297 1 Bi Bi1 1 1.65144810 1.89413101 1.59248527 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Se Se3 1 -0.24682253 0.00000000 3.50027412 1 [/CIF]
Bi2MnSe
P2/m
10
monoclinic
2/m
9,693.910051
false
[CIF] data_CoSbPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79145343 _cell_length_b 4.79145343 _cell_length_c 4.79145343 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoSbPb _chemical_formula_sum 'Co1 Sb1 Pb1' _cell_volume 77.78338082 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 3.38806921 3.38806921 3.38806921 1 Sb Sb2 1 5.08210381 5.08210381 5.08210382 1 [/CIF]
CoPbSb
F-43m
216
cubic
-43m
8,280.840935
false
[CIF] data_MgSn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.36613753 _cell_length_b 6.36613753 _cell_length_c 6.36613753 _cell_angle_alpha 148.95646871 _cell_angle_beta 62.19090914 _cell_angle_gamma 127.57151824 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSn3 _chemical_formula_sum 'Mg1 Sn3' _cell_volume 104.46411467 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.87378972 1 Sn Sn1 1 1.70360656 -2.71144872 2.81136010 1 Sn Sn2 1 1.70360656 2.71144872 2.81136010 1 Sn Sn3 1 0.00000000 5.45137488 1.87719760 1 [/CIF]
MgSn3
Imm2
44
orthorhombic
mm2
6,047.312819
false
[CIF] data_FeSiMo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42398293 _cell_length_b 4.42398293 _cell_length_c 4.42398293 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeSiMo3 _chemical_formula_sum 'Fe1 Si1 Mo3' _cell_volume 86.58453476 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 2.21199147 0.00000000 2.21199147 1 Mo Mo1 1 2.21199147 2.21199147 0.00000000 1 Mo Mo2 1 0.00000000 2.21199147 2.21199147 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 Fe Fe4 1 2.21199147 2.21199147 2.21199147 1 [/CIF]
FeMo3Si
Pm-3m
221
cubic
m-3m
7,130.671342
false
[CIF] data_NbFeIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70150450 _cell_length_b 4.70150450 _cell_length_c 4.70150450 _cell_angle_alpha 130.79313257 _cell_angle_beta 130.79313257 _cell_angle_gamma 72.14195470 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbFeIr2 _chemical_formula_sum 'Nb1 Fe1 Ir2' _cell_volume 58.24025228 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 0.00000000 -0.00000000 1 Ir Ir1 1 1.95740220 -0.00000000 1.90008538 1 Ir Ir2 1 0.00000000 1.95740220 1.90008538 1 Nb Nb3 1 0.00000000 -0.00000000 3.80017076 1 [/CIF]
FeIr2Nb
I4/mmm
139
tetragonal
4/mmm
15,202.213825
false
[CIF] data_SrPdF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.83780756 _cell_length_b 6.83780756 _cell_length_c 6.83780756 _cell_angle_alpha 128.63568390 _cell_angle_beta 128.63568390 _cell_angle_gamma 75.59748425 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrPdF4 _chemical_formula_sum 'Sr2 Pd2 F8' _cell_volume 189.78634715 _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 Sr Sr0 1 0.00000000 0.00000000 2.70150996 1 Sr Sr1 1 0.00000000 -0.00000000 8.10452988 1 Pd Pd2 1 0.00000000 2.96335856 -0.00000000 1 Pd Pd3 1 2.96335856 0.00000000 -0.00000000 1 F F4 1 1.95982311 -1.00353545 6.83203224 1 F F5 1 1.95982311 -1.00353545 3.97400760 1 F F6 1 1.00353545 3.96689401 -1.42901232 1 F F7 1 1.95982311 1.00353545 -1.42901232 1 F F8 1 1.00353545 3.96689401 1.42901232 1 F F9 1 1.95982311 1.00353545 1.42901232 1 F F10 1 1.00353545 1.95982311 6.83203224 1 F F11 1 1.00353545 1.95982311 3.97400760 1 [/CIF]
F8Pd2Sr2
I4/mcm
140
tetragonal
4/mmm
4,725.327929
false
[CIF] data_LiAc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66593656 _cell_length_b 4.66593656 _cell_length_c 4.66593656 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAc _chemical_formula_sum 'Li1 Ac1' _cell_volume 71.82927621 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.29931538 3.29931538 3.29931538 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AcLi
Fm-3m
225
cubic
m-3m
5,408.21501
false
[CIF] data_ErTa3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46411754 _cell_length_b 5.46411754 _cell_length_c 5.46411754 _cell_angle_alpha 134.55372294 _cell_angle_beta 134.55372294 _cell_angle_gamma 66.22440971 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErTa3 _chemical_formula_sum 'Er1 Ta3' _cell_volume 81.55662059 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Er Er0 1 0.00000000 0.00000000 0.00000000 1 Ta Ta1 1 0.00000000 0.00000000 4.57675780 1 Ta Ta2 1 -0.00000000 2.11067152 2.28837890 1 Ta Ta3 1 2.11067152 0.00000000 2.28837890 1 [/CIF]
ErTa3
I4/mmm
139
tetragonal
4/mmm
14,458.092629
false
[CIF] data_NaYPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45652428 _cell_length_b 5.45652428 _cell_length_c 5.45652428 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaYPb2 _chemical_formula_sum 'Na1 Y1 Pb2' _cell_volume 114.87705098 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 5.78751798 5.78751798 5.78751798 1 Pb Pb2 1 1.92917266 1.92917266 1.92917266 1 Y Y3 1 3.85834532 3.85834532 3.85834532 1 [/CIF]
NaPb2Y
Fm-3m
225
cubic
m-3m
7,607.563294
false
[CIF] data_MgVBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74566468 _cell_length_b 4.74566468 _cell_length_c 6.32463372 _cell_angle_alpha 103.55565169 _cell_angle_beta 103.55565169 _cell_angle_gamma 47.85863200 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgVBi2 _chemical_formula_sum 'Mg1 V1 Bi2' _cell_volume 102.08588223 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 0.90509861 0.00000000 4.45150910 1 Bi Bi1 1 6.14858701 0.00000000 1.66164520 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 3.52684281 0.00000000 3.05657715 1 [/CIF]
Bi2MgV
C2/m
12
monoclinic
2/m
8,022.558768
false
[CIF] data_ZnTcC3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03476250 _cell_length_b 4.03476250 _cell_length_c 4.03476250 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnTcC3 _chemical_formula_sum 'Zn1 Tc1 C3' _cell_volume 65.68314318 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.01738125 0.00000000 2.01738125 1 C C1 1 2.01738125 2.01738125 0.00000000 1 C C2 1 0.00000000 2.01738125 2.01738125 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 Tc Tc4 1 2.01738125 2.01738125 2.01738125 1 [/CIF]
C3TcZn
Pm-3m
221
cubic
m-3m
5,064.257689
false
[CIF] data_TlSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83660902 _cell_length_b 3.83660902 _cell_length_c 5.51440362 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlSi2 _chemical_formula_sum 'Tl1 Si2' _cell_volume 70.29497295 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Si Si0 1 0.00000000 2.21506725 3.15665446 1 Si Si1 1 1.91830451 1.10753362 2.35774916 1 Tl Tl2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Si2Tl
P-3m1
164
trigonal
-3m
6,154.929372
false
[CIF] data_BaRePdPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08248277 _cell_length_b 5.08248277 _cell_length_c 5.08248277 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaRePdPb _chemical_formula_sum 'Ba1 Re1 Pd1 Pb1' _cell_volume 92.83521478 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 5.39078704 5.39078704 5.39078704 1 Pb Pb1 1 1.79692902 1.79692902 1.79692901 1 Pd Pd2 1 0.00000000 0.00000000 0.00000000 1 Re Re3 1 3.59385803 3.59385803 3.59385803 1 [/CIF]
BaPbPdRe
F-43m
216
cubic
-43m
11,396.743261
false
[CIF] data_Be2CdPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16988385 _cell_length_b 4.16988385 _cell_length_c 4.16988385 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2CdPd _chemical_formula_sum 'Be2 Cd1 Pd1' _cell_volume 51.26923977 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.47427657 1.47427657 1.47427657 1 Be Be1 1 4.42282972 4.42282972 4.42282972 1 Cd Cd2 1 2.94855315 2.94855315 2.94855315 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be2CdPd
Fm-3m
225
cubic
m-3m
7,672.012884
false
[CIF] data_ReMo2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12177230 _cell_length_b 4.25592550 _cell_length_c 4.63423598 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReMo2As _chemical_formula_sum 'Re1 Mo2 As1' _cell_volume 61.57059982 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 0.00000000 2.12796275 2.31711799 1 Mo Mo2 1 1.56088615 2.12796275 0.00000000 1 Re Re3 1 1.56088615 0.00000000 2.31711799 1 [/CIF]
AsMo2Re
Pmmm
47
orthorhombic
mmm
12,218.573501
false
[CIF] data_ScHgS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91282877 _cell_length_b 4.91282877 _cell_length_c 4.91282877 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScHgS3 _chemical_formula_sum 'Sc1 Hg1 S3' _cell_volume 118.57547770 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sc Sc0 1 0.00000000 0.00000000 0.00000000 1 S S1 1 2.45641439 0.00000000 2.45641439 1 S S2 1 2.45641439 2.45641439 0.00000000 1 S S3 1 0.00000000 2.45641439 2.45641439 1 Hg Hg4 1 2.45641439 2.45641439 2.45641439 1 [/CIF]
HgS3Sc
Pm-3m
221
cubic
m-3m
4,785.76301
false
[CIF] data_Nb2FeAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91700197 _cell_length_b 4.91700197 _cell_length_c 5.17745185 _cell_angle_alpha 97.67904590 _cell_angle_beta 97.67904590 _cell_angle_gamma 31.99180883 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2FeAg _chemical_formula_sum 'Nb2 Fe1 Ag1' _cell_volume 65.67351186 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.30942324 -0.00000000 2.57236425 1 Fe Fe1 1 6.94877585 -0.00000000 1.20767749 1 Nb Nb2 1 0.03322254 -0.00000000 0.13454718 1 Nb Nb3 1 1.80890166 -0.00000000 3.77619132 1 [/CIF]
AgFeNb2
Cm
8
monoclinic
m
8,837.680442
false
[CIF] data_FeAgSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68436011 _cell_length_b 4.68436011 _cell_length_c 3.34430326 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.84800130 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeAgSe2 _chemical_formula_sum 'Fe1 Ag1 Se2' _cell_volume 73.37677689 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.28774030 -0.00000000 0.00000000 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Se Se2 1 1.64387015 1.66838195 1.67215163 1 Se Se3 1 1.64387015 -1.66838195 1.67215163 1 [/CIF]
AgFeSe2
Cmmm
65
orthorhombic
mmm
7,278.658403
false
[CIF] data_ScAlCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35491086 _cell_length_b 4.35491086 _cell_length_c 4.35491086 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScAlCu2 _chemical_formula_sum 'Sc1 Al1 Cu2' _cell_volume 58.40133996 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 1.53969350 1.53969350 1.53969350 1 Cu Cu2 1 4.61908050 4.61908050 4.61908050 1 Sc Sc3 1 3.07938700 3.07938700 3.07938700 1 [/CIF]
AlCu2Sc
Fm-3m
225
cubic
m-3m
5,659.051288
false
[CIF] data_CaZnCoSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77194963 _cell_length_b 4.77194963 _cell_length_c 4.77194963 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaZnCoSn _chemical_formula_sum 'Ca1 Zn1 Co1 Sn1' _cell_volume 76.83738102 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Co Co1 1 5.06141691 5.06141691 5.06141691 1 Sn Sn2 1 1.68713897 1.68713897 1.68713897 1 Zn Zn3 1 3.37427794 3.37427794 3.37427794 1 [/CIF]
CaCoSnZn
F-43m
216
cubic
-43m
6,118.123599
false
[CIF] data_TiZn2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64794192 _cell_length_b 4.64794192 _cell_length_c 4.64794192 _cell_angle_alpha 129.53302627 _cell_angle_beta 129.53302627 _cell_angle_gamma 74.15441053 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiZn2Rh _chemical_formula_sum 'Ti1 Zn2 Rh1' _cell_volume 58.23661874 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.70823891 1 Ti Ti1 1 0.00000000 0.00000000 -0.00000000 1 Zn Zn2 1 1.98145506 -0.00000000 1.85411945 1 Zn Zn3 1 0.00000000 1.98145506 1.85411946 1 [/CIF]
RhTiZn2
I4/mmm
139
tetragonal
4/mmm
8,027.521598
false
[CIF] data_TiHg2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48338745 _cell_length_b 5.48338745 _cell_length_c 3.30452447 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 117.36819831 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiHg2Cl _chemical_formula_sum 'Ti1 Hg2 Cl1' _cell_volume 88.23773901 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 1.42501237 2.34226903 1.65226224 1 Hg Hg2 1 1.42501237 -2.34226903 1.65226224 1 Ti Ti3 1 2.85002475 -0.00000000 0.00000000 1 [/CIF]
ClHg2Ti
Cmmm
65
orthorhombic
mmm
9,117.891097
false
[CIF] data_La2YGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.69116287 _cell_length_b 6.69116287 _cell_length_c 5.49906830 _cell_angle_alpha 113.37285387 _cell_angle_beta 113.37285387 _cell_angle_gamma 33.48273621 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2YGa _chemical_formula_sum 'La2 Y1 Ga1' _cell_volume 123.62277846 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.45299613 -0.00000000 3.61518431 1 La La1 1 10.07063149 -0.00000000 4.88386428 1 La La2 1 9.11890619 -0.00000000 1.22276045 1 Y Y3 1 5.69997246 0.00000000 2.79067625 1 [/CIF]
GaLa2Y
Cm
8
monoclinic
m
5,862.393084
false
[CIF] data_SrVRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14540291 _cell_length_b 4.14540291 _cell_length_c 6.37376295 _cell_angle_alpha 107.18386207 _cell_angle_beta 107.18386207 _cell_angle_gamma 57.75149189 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrVRh2 _chemical_formula_sum 'Sr1 V1 Rh2' _cell_volume 87.20186048 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.02360730 0.00000000 0.63008452 1 Rh Rh1 1 0.26211282 0.00000000 5.23580943 1 Sr Sr2 1 2.47177202 -0.00000000 2.89694973 1 V V3 1 4.90687767 -0.00000000 0.23722372 1 [/CIF]
Rh2SrV
Cm
8
monoclinic
m
6,557.704005
false
[CIF] data_Ti2VBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65862001 _cell_length_b 4.65862001 _cell_length_c 3.08637690 _cell_angle_alpha 90.95507158 _cell_angle_beta 90.95507158 _cell_angle_gamma 106.22466057 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2VBr _chemical_formula_sum 'Ti2 V1 Br1' _cell_volume 64.29034350 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 2.79632788 -0.00000000 0.00000000 1 Ti Ti1 1 1.35531093 -1.86301441 1.54259334 1 Ti Ti2 1 1.35531093 1.86301441 1.54259334 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrTi2V
C2/m
12
monoclinic
2/m
5,852.264756
false
[CIF] data_CaZr2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97959866 _cell_length_b 4.97959866 _cell_length_c 4.97959866 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaZr2W _chemical_formula_sum 'Ca1 Zr2 W1' _cell_volume 87.31081182 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 W W1 1 3.52110798 3.52110798 3.52110798 1 Zr Zr2 1 1.76055399 1.76055399 1.76055399 1 Zr Zr3 1 5.28166197 5.28166197 5.28166197 1 [/CIF]
CaWZr2
Fm-3m
225
cubic
m-3m
7,728.557372
false
[CIF] data_Nb2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95037343 _cell_length_b 2.95037343 _cell_length_c 7.68207836 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2Hg _chemical_formula_sum 'Nb2 Hg1' _cell_volume 57.91130364 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 1.47518672 0.85169945 2.55924400 1 Nb Nb2 1 -0.00000000 1.70339889 5.12283436 1 [/CIF]
HgNb2
P-3m1
164
trigonal
-3m
11,079.648326
false
[CIF] data_MgVReNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30262072 _cell_length_b 4.30262072 _cell_length_c 4.30262072 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgVReNi _chemical_formula_sum 'Mg1 V1 Re1 Ni1' _cell_volume 56.32279468 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 4.56361844 4.56361844 4.56361844 1 Re Re2 1 3.04241229 3.04241229 3.04241229 1 V V3 1 1.52120615 1.52120615 1.52120615 1 [/CIF]
MgNiReV
F-43m
216
cubic
-43m
9,438.743895
false
[CIF] data_SrYTcIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89444090 _cell_length_b 4.89444090 _cell_length_c 4.89444090 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrYTcIr _chemical_formula_sum 'Sr1 Y1 Tc1 Ir1' _cell_volume 82.90758568 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.73044618 1.73044618 1.73044618 1 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 3.46089235 3.46089235 3.46089235 1 Y Y3 1 5.19133852 5.19133853 5.19133852 1 [/CIF]
IrSrTcY
F-43m
216
cubic
-43m
9,366.447119
false
[CIF] data_Y2HfRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78364504 _cell_length_b 5.78364504 _cell_length_c 3.05240481 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 117.53047825 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2HfRe _chemical_formula_sum 'Y2 Hf1 Re1' _cell_volume 90.54281135 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.00000000 0.00000000 0.00000000 1 Re Re1 1 2.99908517 0.00000000 0.00000000 1 Y Y2 1 1.49954259 -2.47265232 1.52620241 1 Y Y3 1 1.49954258 2.47265232 1.52620241 1 [/CIF]
HfReY2
Cmmm
65
orthorhombic
mmm
9,949.513129
false
[CIF] data_Na4CoBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.92737380 _cell_length_b 5.92737380 _cell_length_c 5.92737380 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na4CoBi _chemical_formula_sum 'Na4 Co1 Bi1' _cell_volume 147.25564458 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 6.28692932 6.28692932 6.28692932 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Na Na2 1 5.23912665 5.23912665 3.14344577 1 Na Na3 1 5.23912665 3.14344577 5.23912665 1 Na Na4 1 3.14344577 5.23912665 5.23912665 1 Na Na5 1 3.14344577 3.14344577 3.14344577 1 [/CIF]
BiCoNa4
F-43m
216
cubic
-43m
4,058.130558
false
[CIF] data_Ba3Tb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.41148407 _cell_length_b 8.41148407 _cell_length_c 6.76860400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3Tb _chemical_formula_sum 'Ba6 Tb2' _cell_volume 414.73911060 _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 Ba Ba0 1 2.16871191 1.25210641 1.69215100 1 Ba Ba1 1 6.24277216 1.25210641 1.69215100 1 Ba Ba2 1 4.20574204 4.78034608 1.69215100 1 Ba Ba3 1 2.03703013 6.03245249 5.07645300 1 Ba Ba4 1 -2.03703013 6.03245249 5.07645300 1 Ba Ba5 1 -0.00000000 2.50421281 5.07645300 1 Tb Tb6 1 4.20574204 2.42818630 5.07645300 1 Tb Tb7 1 0.00000000 4.85637259 1.69215100 1 [/CIF]
Ba6Tb2
P6_3/mmc
194
hexagonal
6/mmm
4,571.607874
false
[CIF] data_CePm2Hf _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58920534 _cell_length_b 5.58920534 _cell_length_c 5.58920534 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CePm2Hf _chemical_formula_sum 'Ce1 Pm2 Hf1' _cell_volume 123.46253758 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Hf Hf1 1 3.95216500 3.95216500 3.95216500 1 Pm Pm2 1 1.97608250 1.97608250 1.97608250 1 Pm Pm3 1 5.92824750 5.92824750 5.92824750 1 [/CIF]
CeHfPm2
Fm-3m
225
cubic
m-3m
8,185.592642
false
[CIF] data_YBPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38324585 _cell_length_b 5.38324585 _cell_length_c 5.38324585 _cell_angle_alpha 146.13670851 _cell_angle_beta 146.13670851 _cell_angle_gamma 48.64374963 _symmetry_Int_Tables_number 1 _chemical_formula_structural YBPd _chemical_formula_sum 'Y1 B1 Pd1' _cell_volume 48.22834758 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.46751946 1 Pd Pd1 1 -0.00000000 0.00000000 3.70209471 1 Y Y2 1 -0.00000000 0.00000000 6.45223305 1 [/CIF]
BPdY
I4mm
107
tetragonal
4mm
7,097.450145
false
[CIF] data_BeInPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88751800 _cell_length_b 5.88751800 _cell_length_c 6.01366706 _cell_angle_alpha 118.83156726 _cell_angle_beta 118.83156726 _cell_angle_gamma 34.53947831 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeInPb2 _chemical_formula_sum 'Be1 In1 Pb2' _cell_volume 102.00863072 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.76657877 0.00000000 3.27873052 1 In In1 1 0.19838162 0.00000000 3.26872075 1 Pb Pb2 1 8.23744095 0.00000000 5.04052645 1 Pb Pb3 1 8.31577398 0.00000000 1.38827597 1 [/CIF]
BeInPb2
Cm
8
monoclinic
m
8,761.535546
false
[CIF] data_ZrWBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57353459 _cell_length_b 4.57353459 _cell_length_c 3.54145407 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrWBr2 _chemical_formula_sum 'Zr1 W1 Br2' _cell_volume 74.07736911 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.28676730 1.77072703 1 Br Br1 1 2.28676730 0.00000000 1.77072703 1 W W2 1 2.28676730 2.28676730 0.00000000 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br2WZr
P4/mmm
123
tetragonal
4/mmm
9,748.212628
false
[CIF] data_BeZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.63828266 _cell_length_b 3.63828266 _cell_length_c 3.63828266 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeZn _chemical_formula_sum 'Be1 Zn1' _cell_volume 34.05448458 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Zn Zn1 1 3.85898151 3.85898151 3.85898151 1 [/CIF]
BeZn
F-43m
216
cubic
-43m
3,627.455414
false
[CIF] data_SrGePd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.64277886 _cell_length_b 5.64277886 _cell_length_c 5.64277886 _cell_angle_alpha 143.59441894 _cell_angle_beta 129.16637621 _cell_angle_gamma 64.12492549 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrGePd2 _chemical_formula_sum 'Sr1 Ge1 Pd2' _cell_volume 81.65976315 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.48429035 1 Pd Pd1 1 -0.00000000 2.42188167 4.55732151 1 Pd Pd2 1 -0.00000000 0.00000000 2.20464627 1 Sr Sr3 1 -0.00000000 2.42188167 0.09999732 1 [/CIF]
GePd2Sr
Imm2
44
orthorhombic
mm2
7,586.932681
false
[CIF] data_AgOsBr4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.20318264 _cell_length_b 6.20318264 _cell_length_c 6.20318264 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgOsBr4 _chemical_formula_sum 'Ag1 Os1 Br4' _cell_volume 168.78300200 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 0.00000000 1 Br Br1 1 5.48013586 5.48013586 3.29248916 1 Br Br2 1 5.48013586 3.29248916 5.48013586 1 Br Br3 1 3.29248916 5.48013586 5.48013586 1 Br Br4 1 3.29248916 3.29248916 3.29248916 1 Os Os5 1 6.57946877 6.57946877 6.57946877 1 [/CIF]
AgBr4Os
F-43m
216
cubic
-43m
6,077.262218
false
[CIF] data_ZrHgO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18501000 _cell_length_b 4.18501000 _cell_length_c 4.18501000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrHgO3 _chemical_formula_sum 'Zr1 Hg1 O3' _cell_volume 73.29755705 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zr Zr0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 2.09250500 2.09250500 2.09250500 1 O O2 1 0.00000000 0.00000000 2.09250500 1 O O3 1 0.00000000 2.09250500 0.00000000 1 O O4 1 2.09250500 0.00000000 0.00000000 1 [/CIF]
HgO3Zr
Pm-3m
221
cubic
m-3m
7,698.366168
false
[CIF] data_ZrTaPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85318621 _cell_length_b 4.85318621 _cell_length_c 4.85318621 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTaPb _chemical_formula_sum 'Zr1 Ta1 Pb1' _cell_volume 80.82875084 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.14758132 5.14758132 5.14758132 1 Ta Ta1 1 1.71586044 1.71586044 1.71586044 1 Zr Zr2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PbTaZr
F-43m
216
cubic
-43m
9,848.175629
false
[CIF] data_TlRhBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24428283 _cell_length_b 5.24428283 _cell_length_c 5.24428283 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlRhBr2 _chemical_formula_sum 'Tl1 Rh1 Br2' _cell_volume 101.98664811 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.85413398 1.85413398 1.85413397 1 Br Br1 1 5.56240193 5.56240193 5.56240193 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 3.70826795 3.70826795 3.70826795 1 [/CIF]
Br2RhTl
Fm-3m
225
cubic
m-3m
7,605.235574
false
[CIF] data_NaZrSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77173731 _cell_length_b 3.77173731 _cell_length_c 5.65425210 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZrSi2 _chemical_formula_sum 'Na1 Zr1 Si2' _cell_volume 80.43740358 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.46546872 1 Si Si1 1 1.88586866 1.88586866 5.48945140 1 Si Si2 1 0.00000000 0.00000000 1.68832835 1 Zr Zr3 1 1.88586866 1.88586866 2.49238177 1 [/CIF]
NaSi2Zr
P4mm
99
tetragonal
4mm
3,517.418277
false
[CIF] data_TlZn2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97546374 _cell_length_b 3.98854817 _cell_length_c 6.00553402 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlZn2W _chemical_formula_sum 'Tl1 Zn2 W1' _cell_volume 71.27235926 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tl Tl0 1 0.00000000 0.00000000 3.00276701 1 W W1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 1.48773187 1.99427409 1.25034624 1 Zn Zn3 1 1.48773187 1.99427409 4.75518778 1 [/CIF]
TlWZn2
Pmmm
47
orthorhombic
mmm
12,091.532446
false
[CIF] data_TiBeBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20025233 _cell_length_b 3.20025233 _cell_length_c 8.89796981 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiBeBi2 _chemical_formula_sum 'Ti1 Be1 Bi2' _cell_volume 91.12958086 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.34582777 1 Bi Bi1 1 1.60012617 1.60012617 8.12464049 1 Bi Bi2 1 0.00000000 0.00000000 2.77619577 1 Ti Ti3 1 1.60012617 1.60012617 4.99826050 1 [/CIF]
BeBi2Ti
P4mm
99
tetragonal
4mm
8,652.408286
false
[CIF] data_SrAlReNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69391905 _cell_length_b 4.69391905 _cell_length_c 4.69391905 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrAlReNi _chemical_formula_sum 'Sr1 Al1 Re1 Ni1' _cell_volume 73.12936271 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 3.31910199 3.31910199 3.31910199 1 Re Re2 1 1.65955100 1.65955100 1.65955100 1 Sr Sr3 1 4.97865299 4.97865299 4.97865299 1 [/CIF]
AlNiReSr
F-43m
216
cubic
-43m
8,163.164445
false
[CIF] data_Li2TiPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31169726 _cell_length_b 4.31169726 _cell_length_c 4.31169726 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2TiPd _chemical_formula_sum 'Li2 Ti1 Pd1' _cell_volume 56.67999213 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.57324555 4.57324555 4.57324555 1 Li Li1 1 1.52441519 1.52441519 1.52441519 1 Pd Pd2 1 3.04883037 3.04883037 3.04883037 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Li2PdTi
Fm-3m
225
cubic
m-3m
4,926.803688
false
[CIF] data_SnIrRhW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50985054 _cell_length_b 4.50985054 _cell_length_c 4.50985054 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnIrRhW _chemical_formula_sum 'Sn1 Ir1 Rh1 W1' _cell_volume 64.85917926 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.18894590 3.18894590 3.18894590 1 W W1 1 1.59447295 1.59447295 1.59447295 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 Ir Ir3 1 4.78341884 4.78341884 4.78341884 1 [/CIF]
IrRhSnW
F-43m
216
cubic
-43m
15,301.743664
false
[CIF] data_Ba _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34812214 _cell_length_b 4.34812214 _cell_length_c 4.34812214 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba _chemical_formula_sum Ba1 _cell_volume 63.28245448 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 [/CIF]
Ba
Im-3m
229
cubic
m-3m
3,603.476671
false
[CIF] data_SbPPd5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.65112228 _cell_length_b 8.65112228 _cell_length_c 8.65112228 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SbPPd5 _chemical_formula_sum 'Sb4 P4 Pd20' _cell_volume 457.82800462 _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 P P0 1 4.58795042 1.52931681 4.58795042 1 P P1 1 4.58795042 4.58795042 1.52931681 1 P P2 1 1.52931681 1.52931681 1.52931681 1 P P3 1 1.52931681 4.58795042 4.58795042 1 Pd Pd4 1 3.05863362 3.05863362 0.59222341 1 Pd Pd5 1 3.05863362 3.05863362 5.52504382 1 Pd Pd6 1 3.05863362 5.52504382 3.05863362 1 Pd Pd7 1 3.05863362 0.59222341 3.05863362 1 Pd Pd8 1 0.59222341 3.05863362 3.05863362 1 Pd Pd9 1 5.52504382 3.05863362 3.05863362 1 Pd Pd10 1 6.11726723 2.46641021 6.11726723 1 Pd Pd11 1 6.11726723 9.76812425 6.11726723 1 Pd Pd12 1 6.11726723 6.11726723 9.76812425 1 Pd Pd13 1 6.11726723 6.11726723 2.46641021 1 Pd Pd14 1 2.46641021 6.11726723 6.11726723 1 Pd Pd15 1 9.76812425 6.11726723 6.11726723 1 Pd Pd16 1 7.19472414 5.03981032 7.19472414 1 Pd Pd17 1 7.19472414 7.19472414 5.03981032 1 Pd Pd18 1 5.03981032 5.03981032 5.03981032 1 Pd Pd19 1 5.03981032 7.19472414 7.19472414 1 Pd Pd20 1 8.09844393 8.09844393 10.25335776 1 Pd Pd21 1 8.09844393 10.25335776 8.09844393 1 Pd Pd22 1 10.25335776 10.25335776 10.25335776 1 Pd Pd23 1 10.25335776 8.09844393 8.09844393 1 Sb Sb24 1 4.58795042 7.64658404 4.58795042 1 Sb Sb25 1 4.58795042 4.58795042 7.64658404 1 Sb Sb26 1 7.64658404 7.64658404 7.64658404 1 Sb Sb27 1 7.64658404 4.58795042 4.58795042 1 [/CIF]
P4Pd20Sb4
Fd-3m
227
cubic
m-3m
9,935.549634
false
[CIF] data_TlAg2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08559131 _cell_length_b 4.46611076 _cell_length_c 6.40093202 _cell_angle_alpha 90.00000000 _cell_angle_beta 94.61289349 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlAg2As _chemical_formula_sum 'Tl1 Ag2 As1' _cell_volume 87.92291130 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.19752517 2.23305538 4.99691422 1 Ag Ag1 1 2.37328250 2.23305538 1.38328394 1 As As2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 1.28540384 0.00000000 3.19009908 1 [/CIF]
Ag2AsTl
P2/m
10
monoclinic
2/m
9,349.501808
false
[CIF] data_MgBi2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36621102 _cell_length_b 3.36621102 _cell_length_c 9.98312082 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBi2Cl _chemical_formula_sum 'Mg1 Bi2 Cl1' _cell_volume 113.12250197 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68310551 1.68310551 9.58034382 1 Bi Bi1 1 0.00000000 0.00000000 2.35806735 1 Cl Cl2 1 1.68310551 1.68310551 5.83283900 1 Mg Mg3 1 0.00000000 0.00000000 7.18655188 1 [/CIF]
Bi2ClMg
P4mm
99
tetragonal
4mm
7,012.492797
false
[CIF] data_KSr4Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.69170293 _cell_length_b 7.69170293 _cell_length_c 7.69170293 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSr4Co _chemical_formula_sum 'K1 Sr4 Co1' _cell_volume 321.77515600 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.15828295 8.15828295 8.15828295 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 6.79177853 6.79177853 4.08593207 1 Sr Sr3 1 6.79177853 4.08593207 6.79177853 1 Sr Sr4 1 4.08593207 6.79177853 6.79177853 1 Sr Sr5 1 4.08593207 4.08593207 4.08593207 1 [/CIF]
CoKSr4
F-43m
216
cubic
-43m
2,314.569181
false
[CIF] data_NaPd2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.69088570 _cell_length_b 9.69088570 _cell_length_c 9.69088570 _cell_angle_alpha 16.63415406 _cell_angle_beta 16.63415406 _cell_angle_gamma 16.63415406 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaPd2Rh _chemical_formula_sum 'Na1 Pd2 Rh1' _cell_volume 65.03998636 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 21.62717533 1 Pd Pd2 1 0.00000000 -0.00000000 7.03706992 1 Rh Rh3 1 -0.00000000 -0.00000000 14.33212262 1 [/CIF]
NaPd2Rh
R-3m
166
trigonal
-3m
8,648.266695
false
[CIF] data_Re3Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.00692648 _cell_length_b 9.00692648 _cell_length_c 9.00692648 _cell_angle_alpha 153.74882093 _cell_angle_beta 153.74882093 _cell_angle_gamma 37.46479128 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re3Bi _chemical_formula_sum 'Re6 Bi2' _cell_volume 142.73643928 _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 Bi Bi0 1 0.00000000 0.00000000 10.50167662 1 Bi Bi1 1 -0.00000000 0.00000000 6.55796180 1 Re Re2 1 0.00000000 2.04534946 -0.00000000 1 Re Re3 1 2.04534946 0.00000000 -0.00000000 1 Re Re4 1 2.04534946 0.00000000 4.26490961 1 Re Re5 1 -0.00000000 2.04534946 4.26490961 1 Re Re6 1 -0.00000000 0.00000000 14.47181717 1 Re Re7 1 -0.00000000 0.00000000 2.58782125 1 [/CIF]
Bi2Re6
I4/mmm
139
tetragonal
4/mmm
17,859.939882
false
[CIF] data_Ba2LiCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.46425907 _cell_length_b 9.46425907 _cell_length_c 9.46425907 _cell_angle_alpha 28.04687040 _cell_angle_beta 28.04687040 _cell_angle_gamma 28.04687040 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2LiCl _chemical_formula_sum 'Ba2 Li1 Cl1' _cell_volume 165.54702724 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.64763561 1 Ba Ba1 1 0.00000000 -0.00000000 20.61103986 1 Cl Cl2 1 0.00000000 0.00000000 13.62933774 1 Li Li3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
Ba2ClLi
R-3m
166
trigonal
-3m
3,180.187521
false
[CIF] data_ScGaAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.33711397 _cell_length_b 3.33711397 _cell_length_c 6.65657282 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScGaAg2 _chemical_formula_sum 'Sc1 Ga1 Ag2' _cell_volume 74.12978925 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66855698 1.66855698 0.04288723 1 Ag Ag1 1 0.00000000 0.00000000 1.73282958 1 Ga Ga2 1 1.66855698 1.66855698 3.27233432 1 Sc Sc3 1 0.00000000 0.00000000 4.93680809 1 [/CIF]
Ag2GaSc
P4mm
99
tetragonal
4mm
7,401.444673
false
[CIF] data_CuPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.87827100 _cell_length_b 5.87827100 _cell_length_c 5.87827100 _cell_angle_alpha 152.49015812 _cell_angle_beta 152.49015812 _cell_angle_gamma 39.29793761 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuPt2 _chemical_formula_sum 'Cu1 Pt2' _cell_volume 43.25790320 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 0.00000000 -0.00000000 3.77461168 1 Pt Pt2 1 0.00000000 0.00000000 7.29735170 1 [/CIF]
CuPt2
I4/mmm
139
tetragonal
4/mmm
17,416.697674
false
[CIF] data_Pd2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45838699 _cell_length_b 4.45838699 _cell_length_c 2.67714345 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pd2W _chemical_formula_sum 'Pd2 W1' _cell_volume 46.08480984 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.57405093 1.27465811 1 Pd Pd1 1 2.22919349 1.28702546 1.40248534 1 W W2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pd2W
P-3m1
164
trigonal
-3m
14,293.270129
false
[CIF] data_KSe3Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18824527 _cell_length_b 5.18824527 _cell_length_c 5.18824527 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSe3Cl _chemical_formula_sum 'K1 Se3 Cl1' _cell_volume 139.65661019 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.59412264 2.59412264 2.59412264 1 Se Se1 1 0.00000000 2.59412264 0.00000000 1 Se Se2 1 0.00000000 0.00000000 2.59412264 1 Se Se3 1 2.59412264 0.00000000 0.00000000 1 Cl Cl4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
ClKSe3
Pm-3m
221
cubic
m-3m
3,702.967153
false
[CIF] data_MnGaSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.28389663 _cell_length_b 7.28389663 _cell_length_c 7.28389663 _cell_angle_alpha 31.09616328 _cell_angle_beta 31.09616328 _cell_angle_gamma 31.09616328 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnGaSb2 _chemical_formula_sum 'Mn1 Ga1 Sb2' _cell_volume 91.46105035 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.38933026 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 -0.00000000 0.00000000 15.33849226 1 Sb Sb3 1 -0.00000000 0.00000000 5.44016826 1 [/CIF]
GaMnSb2
R-3m
166
trigonal
-3m
6,675.585821
false
[CIF] data_LaHfTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29155064 _cell_length_b 5.29155064 _cell_length_c 3.75338196 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaHfTe2 _chemical_formula_sum 'La1 Hf1 Te2' _cell_volume 105.09660243 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.64577532 2.64577532 0.00000000 1 La La1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 0.00000000 2.64577532 1.87669098 1 Te Te3 1 2.64577532 0.00000000 1.87669098 1 [/CIF]
HfLaTe2
P4/mmm
123
tetragonal
4/mmm
9,047.080431
false
[CIF] data_LiB2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27344096 _cell_length_b 4.27344096 _cell_length_c 4.27344096 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiB2Te _chemical_formula_sum 'Li1 B2 Te1' _cell_volume 55.18462889 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.53266862 4.53266862 4.53266862 1 B B1 1 1.51088954 1.51088954 1.51088954 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 3.02177908 3.02177908 3.02177908 1 [/CIF]
B2LiTe
Fm-3m
225
cubic
m-3m
4,699.039705
false
[CIF] data_OsPbBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31189917 _cell_length_b 3.31189917 _cell_length_c 9.03062037 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural OsPbBr2 _chemical_formula_sum 'Os1 Pb1 Br2' _cell_volume 99.05394993 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.65594958 1.65594958 7.28586749 1 Br Br1 1 1.65594958 1.65594958 1.74475288 1 Os Os2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 0.00000000 0.00000000 4.51531018 1 [/CIF]
Br2OsPb
P4/mmm
123
tetragonal
4/mmm
9,341.530237
false
[CIF] data_Fe2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63369247 _cell_length_b 4.63369247 _cell_length_c 4.63369247 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2Re _chemical_formula_sum 'Fe4 Re2' _cell_volume 70.35040862 _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 Fe Fe0 1 4.09564421 2.45738653 2.45738653 1 Fe Fe1 1 2.45738653 4.09564421 2.45738653 1 Fe Fe2 1 4.09564421 4.09564421 4.09564421 1 Fe Fe3 1 2.45738653 2.45738653 4.09564421 1 Re Re4 1 0.00000000 0.00000000 0.00000000 1 Re Re5 1 1.63825768 1.63825768 1.63825769 1 [/CIF]
Fe4Re2
Fd-3m
227
cubic
m-3m
14,063.020131
false
[CIF] data_YRuRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94776596 _cell_length_b 3.85267311 _cell_length_c 6.03078377 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YRuRh2 _chemical_formula_sum 'Y1 Ru1 Rh2' _cell_volume 68.49027635 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.47388298 1.92633656 0.11268212 1 Rh Rh1 1 0.00000000 0.00000000 1.63898472 1 Ru Ru2 1 1.47388298 1.92633656 2.71942544 1 Y Y3 1 0.00000000 0.00000000 4.57508338 1 [/CIF]
Rh2RuY
Pmm2
25
orthorhombic
mm2
9,595.807777
false
[CIF] data_MgMo2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00172530 _cell_length_b 4.00172530 _cell_length_c 4.57537983 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgMo2Pb _chemical_formula_sum 'Mg1 Mo2 Pb1' _cell_volume 73.26924212 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 0.00000000 2.00086265 2.28768992 1 Mo Mo2 1 2.00086265 0.00000000 2.28768992 1 Pb Pb3 1 2.00086265 2.00086265 0.00000000 1 [/CIF]
MgMo2Pb
P4/mmm
123
tetragonal
4/mmm
9,596.301721
false
[CIF] data_BaCaVF7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75454100 _cell_length_b 10.61524640 _cell_length_c 9.99130446 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.95869042 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCaVF7 _chemical_formula_sum 'Ba4 Ca4 V4 F28' _cell_volume 609.97093523 _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 Ba Ba0 1 1.35242606 7.06584843 5.06256119 1 Ba Ba1 1 3.88987667 1.75822523 9.91563907 1 Ba Ba2 1 4.06062276 3.54939797 4.92290565 1 Ba Ba3 1 1.52317215 8.85702117 0.06982777 1 Ca Ca4 1 3.80387745 6.24918696 8.25085724 1 Ca Ca5 1 1.43842527 0.94156376 6.72734301 1 Ca Ca6 1 3.97462354 9.67368264 3.25812382 1 Ca Ca7 1 1.60917136 4.36605944 1.73460959 1 V V8 1 0.83402233 3.99599051 8.04733655 1 V V9 1 4.57902649 6.61925589 1.93813028 1 V V10 1 1.00476842 1.31163269 3.05460313 1 V V11 1 4.40828040 9.30361371 6.93086370 1 F F12 1 0.52964473 6.22553884 1.04205256 1 F F13 1 1.85061159 10.27000313 3.69733868 1 F F14 1 2.43493546 3.07367050 7.35016863 1 F F15 1 2.97811335 7.54157590 2.63529820 1 F F16 1 5.16944201 5.70643196 3.56069735 1 F F17 1 1.50464110 2.16772875 4.78582766 1 F F18 1 -0.19431118 2.38426618 7.39694266 1 F F19 1 0.41435290 0.39880876 1.43203607 1 F F20 1 1.67986550 5.65286647 8.69007209 1 F F21 1 2.80736726 8.38129370 7.62803162 1 F F22 1 0.35889863 9.69733076 6.03478598 1 F F23 1 4.88340409 4.38970756 8.94341427 1 F F24 1 5.43661391 7.69188938 7.58125760 1 F F25 1 1.99948045 0.39897881 8.76625392 1 F F26 1 0.24360681 4.90881444 6.42476949 1 F F27 1 4.99869592 10.21643764 8.55343077 1 F F28 1 5.60736000 8.23098022 2.58852418 1 F F29 1 5.05415018 0.91791564 3.95068085 1 F F30 1 3.24282228 5.70660201 6.21194634 1 F F31 1 3.56243723 0.34524327 6.28812816 1 F F32 1 3.41356837 10.21626759 1.21921292 1 F F33 1 -0.02356509 2.92335702 2.40420924 1 F F34 1 2.17022654 4.90864439 3.77352050 1 F F35 1 4.07915381 7.47535195 0.20690576 1 F F36 1 3.90840772 8.44751765 5.19963918 1 F F37 1 1.33389501 3.13989445 9.77856107 1 F F38 1 3.73318332 4.96237993 1.29539474 1 F F39 1 2.60568156 2.23395270 2.35743521 1 [/CIF]
Ba4Ca4F28V4
P2_1/c
14
monoclinic
2/m
3,934.688585
false
[CIF] data_Mg3RhI _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29440823 _cell_length_b 5.29440823 _cell_length_c 5.29440823 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg3RhI _chemical_formula_sum 'Mg3 Rh1 I1' _cell_volume 148.40627853 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.64720412 2.64720412 2.64720412 1 Mg Mg1 1 2.64720412 0.00000000 2.64720412 1 Mg Mg2 1 2.64720412 2.64720412 0.00000000 1 Mg Mg3 1 0.00000000 2.64720412 2.64720412 1 Rh Rh4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IMg3Rh
Pm-3m
221
cubic
m-3m
3,387.232967
false
[CIF] data_TiCoMoW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36999424 _cell_length_b 4.36999424 _cell_length_c 4.36999424 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCoMoW _chemical_formula_sum 'Ti1 Co1 Mo1 W1' _cell_volume 59.01026914 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.63507884 4.63507884 4.63507884 1 Mo Mo1 1 3.09005256 3.09005256 3.09005256 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 1.54502628 1.54502628 1.54502628 1 [/CIF]
CoMoTiW
F-43m
216
cubic
-43m
10,878.864583
false