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_LaAlMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80683818 _cell_length_b 4.80683818 _cell_length_c 4.80683818 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaAlMo2 _chemical_formula_sum 'La1 Al1 Mo2' _cell_volume 78.53504684 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 1.69947394 1.69947394 1.69947394 1 Mo Mo2 1 3.39894787 3.39894787 3.39894787 1 Mo Mo3 1 5.09842181 5.09842181 5.09842181 1 [/CIF]
AlLaMo2
F-43m
216
cubic
-43m
7,565.444218
false
[CIF] data_SrSiAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62666029 _cell_length_b 3.62666029 _cell_length_c 6.95513055 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrSiAg2 _chemical_formula_sum 'Sr1 Si1 Ag2' _cell_volume 91.47850118 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.81333015 1.81333015 5.56632021 1 Ag Ag1 1 1.81333015 1.81333015 1.38881034 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 0.00000000 0.00000000 3.47756527 1 [/CIF]
Ag2SiSr
P4/mmm
123
tetragonal
4/mmm
6,016.41059
false
[CIF] data_CsYO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56759399 _cell_length_b 3.56759399 _cell_length_c 13.75331500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsYO2 _chemical_formula_sum 'Cs2 Y2 O4' _cell_volume 151.59639290 _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 Cs Cs0 1 1.78379699 1.02987567 10.31498625 1 Cs Cs1 1 -0.00000000 2.05975135 3.43832875 1 Y Y2 1 0.00000000 0.00000000 6.87665750 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 O O4 1 1.78379699 1.02987567 5.73595755 1 O O5 1 1.78379699 1.02987567 1.14069995 1 O O6 1 -0.00000000 2.05975135 8.01735745 1 O O7 1 0.00000000 2.05975135 12.61261505 1 [/CIF]
Cs2O4Y2
P6_3/mmc
194
hexagonal
6/mmm
5,560.311599
false
[CIF] data_Zr3Al3C5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31038839 _cell_length_b 3.31038839 _cell_length_c 29.40013400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3Al3C5 _chemical_formula_sum 'Zr6 Al6 C10' _cell_volume 279.02161065 _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 Zr Zr0 1 0.00000000 0.00000000 14.70006700 1 Zr Zr1 1 0.00000000 1.91125363 17.36057333 1 Zr Zr2 1 1.65519419 0.95562681 12.03956067 1 Zr Zr3 1 1.65519419 0.95562681 2.66050633 1 Zr Zr4 1 -0.00000000 1.91125363 26.73962767 1 Zr Zr5 1 0.00000000 0.00000000 0.00000000 1 Al Al6 1 0.00000000 1.91125363 24.14500705 1 Al Al7 1 1.65519419 0.95562681 9.44494005 1 Al Al8 1 -0.00000000 1.91125363 19.95519395 1 Al Al9 1 1.65519419 0.95562681 5.25512695 1 Al Al10 1 0.00000000 0.00000000 7.35003350 1 Al Al11 1 0.00000000 0.00000000 22.05010050 1 C C12 1 0.00000000 0.00000000 24.99761093 1 C C13 1 0.00000000 0.00000000 10.29754393 1 C C14 1 1.65519419 0.95562681 27.99363159 1 C C15 1 0.00000000 1.91125363 1.40650241 1 C C16 1 0.00000000 1.91125363 13.29356459 1 C C17 1 0.00000000 0.00000000 19.10259007 1 C C18 1 0.00000000 0.00000000 4.40252307 1 C C19 1 1.65519419 0.95562681 16.10656941 1 C C20 1 0.00000000 1.91125363 7.35003350 1 C C21 1 1.65519419 0.95562681 22.05010050 1 [/CIF]
C10Al6Zr6
P6_3/mmc
194
hexagonal
6/mmm
4,935.645462
false
[CIF] data_BiRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41221160 _cell_length_b 4.41221160 _cell_length_c 3.28916814 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiRu2 _chemical_formula_sum 'Bi1 Ru2' _cell_volume 55.45355213 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 0.00000000 0.00000000 0.00000000 1 Ru Ru1 1 2.20610580 1.27369578 1.64458407 1 Ru Ru2 1 -0.00000000 2.54739155 1.64458407 1 [/CIF]
BiRu2
P6/mmm
191
hexagonal
6/mmm
12,310.870254
false
[CIF] data_Sc2AlIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27682198 _cell_length_b 3.27682198 _cell_length_c 8.16018714 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.30544280 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2AlIn _chemical_formula_sum 'Sc2 Al1 In1' _cell_volume 87.59777582 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.07399187 1 In In1 1 2.29051696 0.00000000 2.18659518 1 Sc Sc2 1 0.00000000 0.00000000 0.05613221 1 Sc Sc3 1 2.29051696 0.00000000 5.92356153 1 [/CIF]
AlInSc2
Cmm2
35
orthorhombic
mm2
4,392.414832
false
[CIF] data_NaLaFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93668056 _cell_length_b 4.93668056 _cell_length_c 4.93668056 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLaFe2 _chemical_formula_sum 'Na1 La1 Fe2' _cell_volume 85.07267329 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.23614045 5.23614045 5.23614045 1 Fe Fe1 1 1.74538015 1.74538015 1.74538015 1 La La2 1 3.49076030 3.49076030 3.49076030 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Fe2LaNa
Fm-3m
225
cubic
m-3m
5,340.128155
false
[CIF] data_SnSbPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50661439 _cell_length_b 5.50661439 _cell_length_c 5.50661439 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnSbPb2 _chemical_formula_sum 'Sn1 Sb1 Pb2' _cell_volume 118.06984670 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.94688219 1.94688219 1.94688219 1 Pb Pb1 1 3.89376438 3.89376438 3.89376438 1 Sb Sb2 1 5.84064657 5.84064657 5.84064657 1 Sn Sn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pb2SbSn
F-43m
216
cubic
-43m
9,210.117985
false
[CIF] data_LaAsPd4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43210491 _cell_length_b 5.43210491 _cell_length_c 5.43210491 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaAsPd4 _chemical_formula_sum 'La1 As1 Pd4' _cell_volume 113.34162879 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 1.92053911 1.92053911 1.92053911 1 Pd Pd2 1 2.88044430 2.88044430 4.80171214 1 Pd Pd3 1 2.88044430 4.80171214 2.88044430 1 Pd Pd4 1 4.80171214 2.88044430 2.88044430 1 Pd Pd5 1 4.80171214 4.80171214 4.80171214 1 [/CIF]
AsLaPd4
F-43m
216
cubic
-43m
9,369.253684
false
[CIF] data_Hf3Bi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.93571992 _cell_length_b 5.93571992 _cell_length_c 5.93571992 _cell_angle_alpha 52.32470165 _cell_angle_beta 52.32470165 _cell_angle_gamma 52.32470165 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Bi2 _chemical_formula_sum 'Hf3 Bi2' _cell_volume 121.21897172 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.15180936 1 Bi Bi1 1 0.00000000 -0.00000000 3.17466913 1 Hf Hf2 1 -0.00000000 -0.00000000 -0.00000000 1 Hf Hf3 1 0.00000000 -0.00000000 6.04157919 1 Hf Hf4 1 -0.00000000 -0.00000000 9.28489929 1 [/CIF]
Bi2Hf3
R-3m
166
trigonal
-3m
13,060.736849
false
[CIF] data_CdTc2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.69096396 _cell_length_b 2.69096396 _cell_length_c 9.13072656 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdTc2Ag _chemical_formula_sum 'Cd1 Tc2 Ag1' _cell_volume 66.11821185 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 0.00000000 0.00000000 4.56536328 1 Tc Tc2 1 1.34548198 1.34548198 6.88978275 1 Tc Tc3 1 1.34548198 1.34548198 2.24094381 1 [/CIF]
AgCdTc2
P4/mmm
123
tetragonal
4/mmm
10,500.245179
false
[CIF] data_BaZnSbF7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.71244036 _cell_length_b 10.58221834 _cell_length_c 9.90268190 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.90621300 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaZnSbF7 _chemical_formula_sum 'Ba4 Zn4 Sb4 F28' _cell_volume 597.85009784 _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 1.25493529 7.09720928 4.86288493 1 Ba Ba1 1 4.20646596 1.80610011 0.08208793 1 Ba Ba2 1 3.95542684 3.48500906 5.02706079 1 Ba Ba3 1 1.00389617 8.77611823 9.80785778 1 Zn Zn4 1 3.52645468 6.54133054 7.98578265 1 Zn Zn5 1 1.43286833 1.25022137 6.84913593 1 Zn Zn6 1 3.77749379 9.33199697 3.04080979 1 Zn Zn7 1 1.68390745 4.04088780 1.90416307 1 Sb Sb8 1 0.77735351 4.29568793 8.18285979 1 Sb Sb9 1 4.43300861 6.28653041 1.70708593 1 Sb Sb10 1 1.02839263 0.99542124 3.23788693 1 Sb Sb11 1 4.18196950 9.58679710 6.65205879 1 F F12 1 0.71920414 5.73151401 1.27515254 1 F F13 1 1.99685805 9.51425727 3.98854093 1 F F14 1 2.44958346 2.95866719 7.55351161 1 F F15 1 2.76077867 7.62355115 2.33643411 1 F F16 1 5.00527774 5.69635395 3.64274215 1 F F17 1 0.85750354 2.22390948 5.11679286 1 F F18 1 -0.19866837 2.48728555 7.59210742 1 F F19 1 0.45612350 0.40524478 1.30223071 1 F F20 1 1.74581893 6.35907024 8.93351379 1 F F21 1 2.50973955 8.24977636 7.28140697 1 F F22 1 0.46816502 10.14181350 6.22012540 1 F F23 1 4.49115798 4.85070433 8.61479318 1 F F24 1 5.15799138 7.77839472 7.24281116 1 F F25 1 1.97365142 0.35909107 8.52493501 1 F F26 1 0.20508439 4.88586439 6.24720357 1 F F27 1 4.75423862 10.17697356 8.58771501 1 F F28 1 5.40903050 8.09493279 2.29783830 1 F F29 1 4.74219710 0.44040484 3.66982032 1 F F30 1 2.98567159 5.65020024 6.30998356 1 F F31 1 3.21350408 1.06796107 5.90140478 1 F F32 1 3.23671071 10.22312727 1.36501070 1 F F33 1 0.05237075 2.80382362 2.64713456 1 F F34 1 2.22469053 4.93201810 3.57996216 1 F F35 1 4.10181947 7.51501865 9.71812571 1 F F36 1 4.35285858 8.35830886 4.77315285 1 F F37 1 1.10854266 3.06719969 0.17182000 1 F F38 1 3.46454319 4.22314810 0.95643193 1 F F39 1 2.70062257 2.33244198 2.60853875 1 [/CIF]
Ba4F28Sb4Zn4
P2_1/c
14
monoclinic
2/m
5,082.366079
false
[CIF] data_Ca2YB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15926001 _cell_length_b 5.15926001 _cell_length_c 5.15926001 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2YB _chemical_formula_sum 'Ca2 Y1 B1' _cell_volume 97.10626472 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 Ca Ca1 1 3.64814774 3.64814774 3.64814774 1 Ca Ca2 1 5.47222161 5.47222161 5.47222161 1 Y Y3 1 1.82407387 1.82407387 1.82407387 1 [/CIF]
BCa2Y
F-43m
216
cubic
-43m
3,075.866375
false
[CIF] data_GaCuTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76987101 _cell_length_b 3.95194978 _cell_length_c 5.26647036 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.29337765 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaCuTc2 _chemical_formula_sum 'Ga1 Cu1 Tc2' _cell_volume 56.32696732 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.29160076 0.00000000 2.59820280 1 Ga Ga1 1 0.29229007 1.97597489 3.81867530 1 Tc Tc2 1 2.67040870 0.00000000 0.04085798 1 Tc Tc3 1 1.18665881 1.97597489 1.26083066 1 [/CIF]
CuGaTc2
Pm
6
monoclinic
m
9,760.397641
false
[CIF] data_VZn3Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82505051 _cell_length_b 4.82505051 _cell_length_c 4.82505051 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VZn3Se _chemical_formula_sum 'V1 Zn3 Se1' _cell_volume 112.33254338 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zn Zn0 1 2.41252525 0.00000000 2.41252525 1 Zn Zn1 1 2.41252525 2.41252525 0.00000000 1 Zn Zn2 1 0.00000000 2.41252525 2.41252525 1 Se Se3 1 2.41252525 2.41252525 2.41252525 1 V V4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
SeVZn3
Pm-3m
221
cubic
m-3m
4,819.65984
false
[CIF] data_BaHf2Mn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25690133 _cell_length_b 4.25690133 _cell_length_c 7.74422389 _cell_angle_alpha 106.02156591 _cell_angle_beta 106.02156591 _cell_angle_gamma 54.91129384 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaHf2Mn _chemical_formula_sum 'Ba1 Hf2 Mn1' _cell_volume 109.13506033 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.34920845 -0.00000000 2.01346523 1 Hf Hf1 1 5.07343241 0.00000000 6.45948466 1 Hf Hf2 1 -0.01099136 -0.00000000 4.56668413 1 Mn Mn3 1 2.45380236 -0.00000000 5.36063606 1 [/CIF]
BaHf2Mn
Cm
8
monoclinic
m
8,357.010585
false
[CIF] data_Cu2NiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14576228 _cell_length_b 4.14576228 _cell_length_c 4.14576228 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2NiMo _chemical_formula_sum 'Cu2 Ni1 Mo1' _cell_volume 50.38464338 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 1.46574831 1.46574831 1.46574831 1 Cu Cu1 1 2.93149662 2.93149662 2.93149662 1 Mo Mo2 1 4.39724493 4.39724493 4.39724493 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cu2MoNi
F-43m
216
cubic
-43m
9,285.552346
false
[CIF] data_ZrTa2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36571696 _cell_length_b 5.36571696 _cell_length_c 5.36571696 _cell_angle_alpha 145.28396576 _cell_angle_beta 127.45378929 _cell_angle_gamma 64.52570856 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTa2Fe _chemical_formula_sum 'Zr1 Ta2 Fe1' _cell_volume 69.00600162 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.20072272 1 Ta Ta1 1 1.60081606 -0.00000000 0.18459181 1 Ta Ta2 1 0.00000000 0.00000000 6.84538724 1 Zr Zr3 1 1.60081606 -0.00000000 4.38117916 1 [/CIF]
FeTa2Zr
Imm2
44
orthorhombic
mm2
12,247.570467
false
[CIF] data_AlTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.82903811 _cell_length_b 6.82903811 _cell_length_c 9.06951685 _cell_angle_alpha 124.05998672 _cell_angle_beta 124.05998672 _cell_angle_gamma 33.85430962 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlTe2 _chemical_formula_sum 'Al2 Te4' _cell_volume 191.02846852 _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 Al Al0 1 8.20327873 0.00000000 4.69417227 1 Al Al1 1 -0.44643865 0.00000000 2.65873492 1 Te Te2 1 2.40196384 0.00000000 6.55063854 1 Te Te3 1 2.21093623 0.00000000 2.78136192 1 Te Te4 1 5.54590385 -0.00000000 4.57154527 1 Te Te5 1 5.35487624 0.00000000 0.80226864 1 [/CIF]
Al2Te4
C2/m
12
monoclinic
2/m
4,905.79726
false
[CIF] data_Ba2TiBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79172873 _cell_length_b 3.79172873 _cell_length_c 9.12880954 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2TiBe _chemical_formula_sum 'Ba2 Ti1 Be1' _cell_volume 131.24678251 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.89586437 1.89586437 7.12560293 1 Ba Ba1 1 1.89586437 1.89586437 2.00320661 1 Be Be2 1 0.00000000 0.00000000 0.00000000 1 Ti Ti3 1 0.00000000 0.00000000 4.56440477 1 [/CIF]
Ba2BeTi
P4/mmm
123
tetragonal
4/mmm
4,194.845522
false
[CIF] data_Ca2SbAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60423079 _cell_length_b 6.12120212 _cell_length_c 6.12120212 _cell_angle_alpha 40.64209117 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2SbAu _chemical_formula_sum 'Ca2 Sb1 Au1' _cell_volume 112.36545732 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.30211539 -0.00000000 3.29210738 1 Ca Ca1 1 2.30211539 0.00000000 0.20317764 1 Ca Ca2 1 0.00000000 -0.00000000 8.46863069 1 Sb Sb3 1 0.00000000 -0.00000000 5.25676630 1 [/CIF]
AuCa2Sb
Amm2
38
orthorhombic
mm2
5,894.695011
false
[CIF] data_YV2Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23773825 _cell_length_b 3.23773825 _cell_length_c 7.42986483 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YV2Cd _chemical_formula_sum 'Y1 V2 Cd1' _cell_volume 77.88689391 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61886913 1.61886913 5.89690770 1 V V1 1 0.00000000 0.00000000 0.37594960 1 V V2 1 1.61886913 1.61886913 1.39156041 1 Y Y3 1 0.00000000 0.00000000 3.48037953 1 [/CIF]
CdV2Y
P4mm
99
tetragonal
4mm
6,464.183775
false
[CIF] data_TiRhW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.74565625 _cell_length_b 2.74565625 _cell_length_c 8.64716246 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 105.17700159 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiRhW2 _chemical_formula_sum 'Ti1 Rh1 W2' _cell_volume 62.91410285 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.32358123 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 1.66808300 -0.00000000 2.23009023 1 W W3 1 1.66808300 -0.00000000 6.41707223 1 [/CIF]
RhTiW2
Cmmm
65
orthorhombic
mmm
13,683.90538
false
[CIF] data_Ge2PIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74648854 _cell_length_b 4.74648854 _cell_length_c 2.84626675 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ge2PIr _chemical_formula_sum 'Ge2 P1 Ir1' _cell_volume 64.12398040 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.37324427 1.42313337 1 Ge Ge1 1 2.37324427 0.00000000 1.42313337 1 Ir Ir2 1 2.37324427 2.37324427 0.00000000 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ge2IrP
P4/mmm
123
tetragonal
4/mmm
9,541.829615
false
[CIF] data_MgVCuRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31082793 _cell_length_b 4.31082793 _cell_length_c 4.31082793 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgVCuRu _chemical_formula_sum 'Mg1 V1 Cu1 Ru1' _cell_volume 56.64571532 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.04821566 3.04821566 3.04821566 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 4.57232349 4.57232349 4.57232349 1 V V3 1 1.52410783 1.52410783 1.52410783 1 [/CIF]
CuMgRuV
F-43m
216
cubic
-43m
7,031.441825
false
[CIF] data_TlHgPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.74039211 _cell_length_b 8.74039211 _cell_length_c 8.74039211 _cell_angle_alpha 21.47438814 _cell_angle_beta 21.47438814 _cell_angle_gamma 21.47438814 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlHgPd2 _chemical_formula_sum 'Tl1 Hg1 Pd2' _cell_volume 78.40440499 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 -0.00000000 0.00000000 6.40375345 1 Pd Pd2 1 0.00000000 -0.00000000 19.20348905 1 Tl Tl3 1 0.00000000 0.00000000 12.80362125 1 [/CIF]
HgPd2Tl
R-3m
166
trigonal
-3m
13,084.763812
false
[CIF] data_Ca2NbSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33301728 _cell_length_b 5.33301728 _cell_length_c 5.33301728 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2NbSb _chemical_formula_sum 'Ca2 Nb1 Sb1' _cell_volume 107.25164792 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.65651902 5.65651902 5.65651902 1 Ca Ca1 1 1.88550634 1.88550634 1.88550634 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 Sb Sb3 1 3.77101268 3.77101268 3.77101268 1 [/CIF]
Ca2NbSb
Fm-3m
225
cubic
m-3m
4,564.629907
false
[CIF] data_YMgCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57899110 _cell_length_b 4.57899110 _cell_length_c 7.02115573 _cell_angle_alpha 104.61673085 _cell_angle_beta 104.61673085 _cell_angle_gamma 89.59771730 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMgCu _chemical_formula_sum 'Y2 Mg2 Cu2' _cell_volume 137.58629345 _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 Cu Cu0 1 1.62459118 1.61322453 0.00000000 1 Cu Cu1 1 1.62459118 -1.61322453 0.00000000 1 Mg Mg2 1 4.02218988 0.00000000 5.07800152 1 Mg Mg3 1 -0.02078146 0.00000000 1.48415034 1 Y Y4 1 0.75341994 0.00000000 4.67893377 1 Y Y5 1 3.24798847 -0.00000000 1.88321809 1 [/CIF]
Cu4Mg4Y4
C2/m
12
monoclinic
2/m
4,266.582773
false
[CIF] data_Ca2NiSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21403383 _cell_length_b 5.21403383 _cell_length_c 5.21403383 _cell_angle_alpha 123.75356517 _cell_angle_beta 121.22959496 _cell_angle_gamma 85.75102036 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2NiSb _chemical_formula_sum 'Ca2 Ni1 Sb1' _cell_volume 96.10490212 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 2.45773547 -0.00000000 1.87217089 1 Ca Ca1 1 -0.00000000 2.55841552 1.94884929 1 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1 Sb Sb3 1 0.00000000 0.00000000 3.82102018 1 [/CIF]
Ca2NiSb
Immm
71
orthorhombic
mmm
4,502.940991
false
[CIF] data_Ti5Al3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.55446885 _cell_length_b 9.55446885 _cell_length_c 2.79726205 _cell_angle_alpha 95.60040918 _cell_angle_beta 95.60040918 _cell_angle_gamma 145.95226763 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti5Al3 _chemical_formula_sum 'Ti5 Al3' _cell_volume 134.79306800 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.79726205 -4.56790981 0.00000000 1 Al Al1 1 0.00000000 0.00000000 0.00000000 1 Al Al2 1 2.79726205 4.56790981 0.00000000 1 Ti Ti3 1 3.72968274 -2.28395490 1.31864198 1 Ti Ti4 1 0.93242068 2.28395490 1.31864198 1 Ti Ti5 1 0.93242068 -2.28395490 1.31864198 1 Ti Ti6 1 2.79726205 -0.00000000 0.00000000 1 Ti Ti7 1 3.72968274 2.28395490 1.31864198 1 [/CIF]
Al3Ti5
C2/m
12
monoclinic
2/m
3,945.579859
false
[CIF] data_YSb2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57596043 _cell_length_b 3.57596043 _cell_length_c 7.09913567 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YSb2Os _chemical_formula_sum 'Y1 Sb2 Os1' _cell_volume 90.78014766 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 1.78798022 1.78798022 5.57313287 1 Sb Sb1 1 0.00000000 0.00000000 6.77030903 1 Sb Sb2 1 1.78798022 1.78798022 1.74831117 1 Y Y3 1 0.00000000 0.00000000 3.65608604 1 [/CIF]
OsSb2Y
P4mm
99
tetragonal
4mm
9,560.355206
false
[CIF] data_SrRePt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02903070 _cell_length_b 3.02903070 _cell_length_c 7.46847989 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrRePt _chemical_formula_sum 'Sr1 Re1 Pt1' _cell_volume 59.34309582 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 1.51451537 0.87440584 0.21788543 1 Re Re1 1 0.00000002 1.74881168 2.26480159 1 Sr Sr2 1 0.00000000 0.00000000 4.98579287 1 [/CIF]
PtReSr
P3m1
156
trigonal
3m
13,121.072034
false
[CIF] data_B2MoAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94818136 _cell_length_b 3.94818136 _cell_length_c 2.97276316 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 102.91098030 _symmetry_Int_Tables_number 1 _chemical_formula_structural B2MoAs _chemical_formula_sum 'B2 Mo1 As1' _cell_volume 45.16829099 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 B B1 1 1.23010015 -1.54398434 1.48638158 1 B B2 1 1.23010015 1.54398434 1.48638158 1 Mo Mo3 1 2.46020030 -0.00000000 0.00000000 1 [/CIF]
AsB2Mo
Cmmm
65
orthorhombic
mmm
7,077.083189
false
[CIF] data_InBRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92867683 _cell_length_b 3.92867683 _cell_length_c 3.92867683 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InBRu _chemical_formula_sum 'In1 B1 Ru1' _cell_volume 42.87695347 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 In In1 1 4.16699104 4.16699104 4.16699104 1 Ru Ru2 1 1.38899702 1.38899702 1.38899701 1 [/CIF]
BInRu
F-43m
216
cubic
-43m
8,779.601053
false
[CIF] data_LaRe2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04547707 _cell_length_b 3.04547707 _cell_length_c 9.38431039 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 117.84927756 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaRe2Br _chemical_formula_sum 'La1 Re2 Br1' _cell_volume 76.95794931 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.69215519 1 Re Re2 1 1.57196886 0.00000000 7.09817048 1 Re Re3 1 1.57196886 0.00000000 2.28613991 1 [/CIF]
BrLaRe2
Cmmm
65
orthorhombic
mmm
12,756.962443
false
[CIF] data_NaLiCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45529310 _cell_length_b 4.45529310 _cell_length_c 4.45529310 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLiCu2 _chemical_formula_sum 'Na1 Li1 Cu2' _cell_volume 62.53365906 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.15036796 3.15036796 3.15036796 1 Cu Cu1 1 1.57518398 1.57518398 1.57518398 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Na Na3 1 4.72555194 4.72555194 4.72555194 1 [/CIF]
Cu2LiNa
F-43m
216
cubic
-43m
4,169.633549
false
[CIF] data_MgAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65903023 _cell_length_b 3.65903023 _cell_length_c 2.91598335 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgAs _chemical_formula_sum 'Mg1 As1' _cell_volume 39.04064947 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 1.82951511 1.82951511 1.45799167 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2Mg2
P4/mmm
123
tetragonal
4/mmm
4,220.463747
false
[CIF] data_Tc2BiW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.96077812 _cell_length_b 3.92882186 _cell_length_c 6.51702795 _cell_angle_alpha 90.00000000 _cell_angle_beta 97.14690071 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc2BiW _chemical_formula_sum 'Tc2 Bi1 W1' _cell_volume 75.21947984 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.83978407 1.96441093 4.91439028 1 Tc Tc1 1 2.81619091 0.00000000 0.42881532 1 Tc Tc2 1 1.35249321 1.96441093 1.53188091 1 W W3 1 -0.30312361 0.00000000 2.82450358 1 [/CIF]
BiTc2W
Pm
6
monoclinic
m
13,038.761243
false
[CIF] data_YZr2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39628726 _cell_length_b 3.39628726 _cell_length_c 7.75329429 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZr2Ir _chemical_formula_sum 'Y1 Zr2 Ir1' _cell_volume 89.43244430 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 0.00000000 0.00000000 3.87664715 1 Y Y1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 1.69814363 1.69814363 2.32817588 1 Zr Zr3 1 1.69814363 1.69814363 5.42511841 1 [/CIF]
IrYZr2
P4/mmm
123
tetragonal
4/mmm
8,607.362938
false
[CIF] data_HfBePb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.05100557 _cell_length_b 6.05100557 _cell_length_c 5.20766513 _cell_angle_alpha 113.78047692 _cell_angle_beta 113.78047692 _cell_angle_gamma 31.00067110 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBePb2 _chemical_formula_sum 'Hf1 Be1 Pb2' _cell_volume 89.19608997 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 4.52132509 -0.00000000 2.48649659 1 Hf Hf1 1 8.64109488 -0.00000000 1.23556537 1 Pb Pb2 1 0.04898017 0.00000000 0.08458380 1 Pb Pb3 1 1.01262552 -0.00000000 3.28805642 1 [/CIF]
BeHfPb2
Cm
8
monoclinic
m
11,205.447322
false
[CIF] data_Tl2OsBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.34067279 _cell_length_b 7.34067279 _cell_length_c 7.34067279 _cell_angle_alpha 155.22149691 _cell_angle_beta 143.43926712 _cell_angle_gamma 44.67056884 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2OsBr _chemical_formula_sum 'Tl2 Os1 Br1' _cell_volume 98.49172231 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 0.00000000 0.00000000 6.78994515 1 Tl Tl2 1 1.57495679 -0.00000000 4.35947505 1 Tl Tl3 1 -0.00000000 2.30252753 2.43047010 1 [/CIF]
BrOsTl2
Immm
71
orthorhombic
mmm
11,446.047872
false
[CIF] data_Cu2TcSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98992914 _cell_length_b 4.98992914 _cell_length_c 4.98992914 _cell_angle_alpha 135.13638774 _cell_angle_beta 135.13638774 _cell_angle_gamma 65.31835748 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2TcSb _chemical_formula_sum 'Cu2 Tc1 Sb1' _cell_volume 60.92290367 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 1.90407489 -0.00000000 2.10049937 1 Cu Cu1 1 0.00000000 1.90407489 2.10049937 1 Sb Sb2 1 0.00000000 -0.00000000 4.20099874 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cu2SbTc
I4/mmm
139
tetragonal
4/mmm
9,478.636802
false
[CIF] data_SrBeRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54629403 _cell_length_b 4.54629403 _cell_length_c 4.54629403 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrBeRh2 _chemical_formula_sum 'Sr1 Be1 Rh2' _cell_volume 66.44427438 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 1.60735767 1.60735767 1.60735767 1 Rh Rh2 1 4.82207301 4.82207301 4.82207301 1 Sr Sr3 1 3.21471534 3.21471534 3.21471534 1 [/CIF]
BeRh2Sr
Fm-3m
225
cubic
m-3m
7,558.505252
false
[CIF] data_Sr3AlTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.25497488 _cell_length_b 6.25497488 _cell_length_c 6.25497488 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr3AlTl _chemical_formula_sum 'Sr3 Al1 Tl1' _cell_volume 244.72408292 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.12748744 0.00000000 1 Sr Sr1 1 0.00000000 0.00000000 3.12748744 1 Sr Sr2 1 3.12748744 0.00000000 0.00000000 1 Tl Tl3 1 3.12748744 3.12748744 3.12748744 1 Al Al4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AlSr3Tl
Pm-3m
221
cubic
m-3m
3,353.48954
false
[CIF] data_TaBeCoAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28256432 _cell_length_b 4.28256432 _cell_length_c 4.28256432 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaBeCoAg _chemical_formula_sum 'Ta1 Be1 Co1 Ag1' _cell_volume 55.53882464 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.02823027 3.02823027 3.02823027 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Co Co2 1 4.54234541 4.54234541 4.54234541 1 Ta Ta3 1 1.51411513 1.51411513 1.51411514 1 [/CIF]
AgBeCoTa
F-43m
216
cubic
-43m
10,666.70641
false
[CIF] data_Mg(WO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.40338245 _cell_length_b 6.40338245 _cell_length_c 6.40338245 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg(WO2)2 _chemical_formula_sum 'Mg2 W4 O8' _cell_volume 185.65785408 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 2.26393758 2.26393758 2.26393758 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 3.39590636 3.39590636 5.65984394 1 W W3 1 3.39590636 5.65984394 3.39590636 1 W W4 1 5.65984394 5.65984394 5.65984394 1 W W5 1 5.65984394 3.39590636 3.39590636 1 O O6 1 5.72016958 7.86345588 5.72016958 1 O O7 1 7.86345588 7.86345588 7.86345588 1 O O8 1 7.86345588 5.72016958 5.72016958 1 O O9 1 5.59951831 5.59951831 3.45623200 1 O O10 1 3.45623200 5.59951831 5.59951831 1 O O11 1 3.45623200 3.45623200 3.45623200 1 O O12 1 5.72016958 5.72016958 7.86345588 1 O O13 1 5.59951831 3.45623200 5.59951831 1 [/CIF]
Mg2O8W4
Fd-3m
227
cubic
m-3m
8,156.728952
false
[CIF] data_HfTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20285048 _cell_length_b 8.18619598 _cell_length_c 8.18619598 _cell_angle_alpha 23.30598861 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTl _chemical_formula_sum 'Hf3 Tl3' _cell_volume 137.94547457 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.00000000 -0.00000000 0.37988051 1 Hf Hf1 1 0.00000000 0.00000000 10.93121687 1 Hf Hf2 1 2.60142524 -0.00000000 13.93636503 1 Tl Tl3 1 0.00000000 0.00000000 5.68668602 1 Tl Tl4 1 2.60142524 -0.00000000 8.55816437 1 Tl Tl5 1 2.60142524 0.00000000 3.26752256 1 [/CIF]
Hf3Tl3
Amm2
38
orthorhombic
mm2
13,826.682046
false
[CIF] data_IrI _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41616231 _cell_length_b 3.41616231 _cell_length_c 3.41616231 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural IrI _chemical_formula_sum 'Ir1 I1' _cell_volume 39.86717758 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy I I0 1 0.00000000 0.00000000 0.00000000 1 Ir Ir1 1 1.70808116 1.70808116 1.70808116 1 [/CIF]
IIr
Pm-3m
221
cubic
m-3m
13,291.978517
false
[CIF] data_YAsW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76450966 _cell_length_b 4.76450966 _cell_length_c 4.76450966 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YAsW _chemical_formula_sum 'Y1 As1 W1' _cell_volume 76.47854867 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 W W1 1 3.36901709 3.36901709 3.36901709 1 Y Y2 1 5.05352564 5.05352564 5.05352564 1 [/CIF]
AsWY
F-43m
216
cubic
-43m
7,548.723047
false
[CIF] data_Cs2BeGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.22280525 _cell_length_b 6.22280525 _cell_length_c 6.22280525 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs2BeGa _chemical_formula_sum 'Cs2 Be1 Ga1' _cell_volume 170.38981439 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cs Cs1 1 2.20009389 2.20009389 2.20009389 1 Cs Cs2 1 6.60028168 6.60028168 6.60028168 1 Ga Ga3 1 4.40018779 4.40018779 4.40018779 1 [/CIF]
BeCs2Ga
Fm-3m
225
cubic
m-3m
3,357.784254
false
[CIF] data_ReW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83104032 _cell_length_b 2.83104032 _cell_length_c 6.88781513 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReW2 _chemical_formula_sum 'Re1 W2' _cell_volume 47.80840161 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Re Re0 1 0.00000000 0.00000000 0.00000000 1 W W1 1 1.41552016 0.81725095 2.24682479 1 W W2 1 -0.00000000 1.63450189 4.64099034 1 [/CIF]
ReW2
P-3m1
164
trigonal
-3m
19,238.271331
false
[CIF] data_BeGe2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38097472 _cell_length_b 3.38097472 _cell_length_c 5.07705867 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeGe2W _chemical_formula_sum 'Be1 Ge2 W1' _cell_volume 58.03580718 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.80288616 1 Ge Ge1 1 1.69048736 1.69048736 4.98977596 1 Ge Ge2 1 0.00000000 0.00000000 1.35975313 1 W W3 1 1.69048736 1.69048736 2.54023142 1 [/CIF]
BeGe2W
P4mm
99
tetragonal
4mm
9,674.746078
false
[CIF] data_Ti2AlCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86174150 _cell_length_b 3.71429539 _cell_length_c 5.74956962 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2AlCu _chemical_formula_sum 'Ti2 Al1 Cu1' _cell_volume 61.11420659 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.92748761 1 Cu Cu1 1 1.43087075 1.85714770 4.24491950 1 Ti Ti2 1 0.00000000 0.00000000 0.00786334 1 Ti Ti3 1 1.43087075 1.85714770 1.44408398 1 [/CIF]
AlCuTi2
Pmm2
25
orthorhombic
mm2
5,060.92738
false
[CIF] data_BeAlHgRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40177699 _cell_length_b 4.40177699 _cell_length_c 4.40177699 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeAlHgRh _chemical_formula_sum 'Be1 Al1 Hg1 Rh1' _cell_volume 60.30719237 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.55626318 1.55626318 1.55626318 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Hg Hg2 1 3.11252636 3.11252636 3.11252636 1 Rh Rh3 1 4.66878954 4.66878954 4.66878954 1 [/CIF]
AlBeHgRh
F-43m
216
cubic
-43m
9,347.726056
false
[CIF] data_Pm2YCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19553213 _cell_length_b 5.19553213 _cell_length_c 5.19553213 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pm2YCo _chemical_formula_sum 'Pm2 Y1 Co1' _cell_volume 99.16881108 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pm Pm1 1 5.51069400 5.51069400 5.51069400 1 Pm Pm2 1 1.83689800 1.83689800 1.83689800 1 Y Y3 1 3.67379600 3.67379600 3.67379600 1 [/CIF]
CoPm2Y
Fm-3m
225
cubic
m-3m
7,331.426395
false
[CIF] data_BAs2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32923632 _cell_length_b 3.23328592 _cell_length_c 6.22292748 _cell_angle_alpha 90.00000000 _cell_angle_beta 110.22717262 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BAs2Pb _chemical_formula_sum 'B1 As2 Pb1' _cell_volume 81.73449002 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 -1.03387039 1.61664296 4.95072441 1 As As1 1 3.21157159 1.61664296 0.88842990 1 B B2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 1.08885060 0.00000000 2.91957716 1 [/CIF]
As2BPb
P2/m
10
monoclinic
2/m
7,473.421193
false
[CIF] data_Zr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23223124 _cell_length_b 3.23223124 _cell_length_c 5.18137036 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr _chemical_formula_sum Zr2 _cell_volume 46.87919166 _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 Zr Zr0 1 -0.00000000 1.86612958 1.29534259 1 Zr Zr1 1 1.61611562 0.93306479 3.88602777 1 [/CIF]
Zr2
P6_3/mmc
194
hexagonal
6/mmm
6,462.612111
false
[CIF] data_TaReRuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50508422 _cell_length_b 4.50508422 _cell_length_c 4.50508422 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaReRuAu _chemical_formula_sum 'Ta1 Re1 Ru1 Au1' _cell_volume 64.65375368 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 4.77836340 4.77836340 4.77836340 1 Re Re1 1 3.18557560 3.18557560 3.18557560 1 Ru Ru2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 1.59278780 1.59278780 1.59278780 1 [/CIF]
AuReRuTa
F-43m
216
cubic
-43m
17,084.489686
false
[CIF] data_ReSi2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21486802 _cell_length_b 4.21486802 _cell_length_c 4.21486802 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReSi2Ir _chemical_formula_sum 'Re1 Si2 Ir1' _cell_volume 52.94646178 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.98036176 2.98036176 2.98036176 1 Re Re1 1 0.00000000 0.00000000 0.00000000 1 Si Si2 1 4.47054264 4.47054264 4.47054264 1 Si Si3 1 1.49018088 1.49018088 1.49018088 1 [/CIF]
IrReSi2
Fm-3m
225
cubic
m-3m
13,630.032138
false
[CIF] data_SrAlTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26158433 _cell_length_b 4.26158433 _cell_length_c 6.65019476 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrAlTe2 _chemical_formula_sum 'Sr1 Al1 Te2' _cell_volume 120.77485886 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sr Sr1 1 0.00000000 0.00000000 3.32509738 1 Te Te2 1 2.13079217 2.13079217 5.03981638 1 Te Te3 1 2.13079217 2.13079217 1.61037838 1 [/CIF]
AlSrTe2
P4/mmm
123
tetragonal
4/mmm
5,084.713109
false
[CIF] data_Sc2AsPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.89335553 _cell_length_b 7.89335553 _cell_length_c 7.89335553 _cell_angle_alpha 27.72125048 _cell_angle_beta 27.72125048 _cell_angle_gamma 27.72125048 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2AsPb _chemical_formula_sum 'Sc2 As1 Pb1' _cell_volume 93.95532167 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 -0.00000000 0.00000000 11.37802418 1 Sc Sc2 1 -0.00000000 0.00000000 6.05356080 1 Sc Sc3 1 0.00000000 -0.00000000 16.70248756 1 [/CIF]
AsPbSc2
R-3m
166
trigonal
-3m
6,575.210679
false
[CIF] data_TiPd2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21602714 _cell_length_b 3.21602714 _cell_length_c 6.94600060 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiPd2Br _chemical_formula_sum 'Ti1 Pd2 Br1' _cell_volume 71.84130731 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.60801357 1.60801357 4.98756038 1 Pd Pd1 1 0.00000000 0.00000000 0.33150052 1 Pd Pd2 1 1.60801357 1.60801357 1.87965910 1 Ti Ti3 1 0.00000000 0.00000000 3.22028090 1 [/CIF]
BrPd2Ti
P4mm
99
tetragonal
4mm
7,872.878337
false
[CIF] data_ReNiAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.03100366 _cell_length_b 6.03100366 _cell_length_c 6.03100366 _cell_angle_alpha 153.50329199 _cell_angle_beta 153.50329199 _cell_angle_gamma 37.82196458 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReNiAu _chemical_formula_sum 'Re1 Ni1 Au1' _cell_volume 43.59686995 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.35952059 1 Ni Ni1 1 0.00000000 -0.00000000 3.67445360 1 Re Re2 1 -0.00000000 0.00000000 7.78790465 1 [/CIF]
AuNiRe
I4mm
107
tetragonal
4mm
16,830.046861
false
[CIF] data_CsZrFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89365410 _cell_length_b 4.89365410 _cell_length_c 4.89365410 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsZrFe2 _chemical_formula_sum 'Cs1 Zr1 Fe2' _cell_volume 82.86760909 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cs Cs0 1 3.46033600 3.46033600 3.46033600 1 Fe Fe1 1 1.73016800 1.73016800 1.73016800 1 Fe Fe2 1 5.19050400 5.19050400 5.19050400 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CsFe2Zr
Fm-3m
225
cubic
m-3m
6,729.30383
false
[CIF] data_HfGaTcPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50208529 _cell_length_b 4.50208529 _cell_length_c 4.50208529 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfGaTcPd _chemical_formula_sum 'Hf1 Ga1 Tc1 Pd1' _cell_volume 64.52472433 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 3.18345504 3.18345504 3.18345504 1 Pd Pd2 1 1.59172752 1.59172752 1.59172752 1 Tc Tc3 1 4.77518256 4.77518256 4.77518256 1 [/CIF]
GaHfPdTc
F-43m
216
cubic
-43m
11,671.798178
false
[CIF] data_Fe2PPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46700659 _cell_length_b 4.46700659 _cell_length_c 4.46700659 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2PPb _chemical_formula_sum 'Fe2 P1 Pb1' _cell_volume 63.02818210 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57932533 1.57932533 1.57932533 1 Fe Fe1 1 4.73797598 4.73797598 4.73797598 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 3.15865065 3.15865065 3.15865065 1 [/CIF]
Fe2PPb
Fm-3m
225
cubic
m-3m
9,217.502797
false
[CIF] data_CuWBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16443668 _cell_length_b 3.16443668 _cell_length_c 9.62864190 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.08295612 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuWBr2 _chemical_formula_sum 'Cu1 W1 Br2' _cell_volume 84.26126435 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.57161136 1 Br Br1 1 1.60409875 0.00000000 6.56338975 1 Cu Cu2 1 0.00000000 0.00000000 4.66807632 1 W W3 1 1.60409875 0.00000000 2.63988542 1 [/CIF]
Br2CuW
Cmm2
35
orthorhombic
mm2
8,024.583418
false
[CIF] data_TiP2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38505434 _cell_length_b 4.38505434 _cell_length_c 4.38505434 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiP2Pd _chemical_formula_sum 'Ti1 P2 Pd1' _cell_volume 59.62246687 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 1.55035083 1.55035083 1.55035083 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 4.65105249 4.65105249 4.65105249 1 Ti Ti3 1 3.10070166 3.10070166 3.10070166 1 [/CIF]
P2PdTi
F-43m
216
cubic
-43m
6,022.325031
false
[CIF] data_BeCoPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91348191 _cell_length_b 3.91348191 _cell_length_c 3.91348191 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCoPt _chemical_formula_sum 'Be1 Co1 Pt1' _cell_volume 42.38137042 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Co Co1 1 2.76724960 2.76724960 2.76724960 1 Pt Pt2 1 4.15087440 4.15087440 4.15087440 1 [/CIF]
BeCoPt
F-43m
216
cubic
-43m
10,305.720458
false
[CIF] data_TiTl2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16386583 _cell_length_b 3.16386583 _cell_length_c 8.51738859 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiTl2Ru _chemical_formula_sum 'Ti1 Tl2 Ru1' _cell_volume 85.25945997 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ru Ru0 1 1.58193291 1.58193291 4.68115490 1 Ti Ti1 1 0.00000000 0.00000000 5.91413505 1 Tl Tl2 1 1.58193291 1.58193291 8.15102121 1 Tl Tl3 1 0.00000000 0.00000000 2.54716032 1 [/CIF]
RuTiTl2
P4mm
99
tetragonal
4mm
10,862.106731
false
[CIF] data_NaCr(SiO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.58560830 _cell_length_b 6.58560830 _cell_length_c 5.35555220 _cell_angle_alpha 103.15527079 _cell_angle_beta 103.15527079 _cell_angle_gamma 84.56109944 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCr(SiO3)2 _chemical_formula_sum 'Na2 Cr2 Si4 O12' _cell_volume 220.01402663 _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 Na Na0 1 4.46056500 -1.79895996 1.27396725 1 Na Na1 1 3.63684500 1.79895996 3.82190175 1 Cr Cr2 1 4.46056500 3.60100357 1.27396725 1 Cr Cr3 1 3.63684500 -3.60100357 3.82190175 1 Si Si4 1 6.45716085 0.80396633 1.34973773 1 Si Si5 1 5.63344085 -0.80396633 3.89767223 1 Si Si6 1 2.46396915 0.80396633 1.19819677 1 Si Si7 1 1.64024915 -0.80396633 3.74613127 1 O O8 1 5.50975031 0.05572294 2.47831983 1 O O9 1 3.41137969 0.05572294 0.06961467 1 O O10 1 2.58765969 -0.05572294 2.61754917 1 O O11 1 4.68603031 -0.05572294 5.02625433 1 O O12 1 5.90874234 2.27736999 1.00965981 1 O O13 1 3.01238766 2.27736999 1.53827469 1 O O14 1 2.18866766 -2.27736999 4.08620919 1 O O15 1 5.08502234 -2.27736999 3.55759431 1 O O16 1 7.21136180 -0.70242715 4.39058035 1 O O17 1 0.06232820 -0.70242715 3.25322315 1 O O18 1 0.88604820 0.70242715 0.70528865 1 O O19 1 8.03508180 0.70242715 1.84264585 1 [/CIF]
Cr2Na2O12Si4
C2/c
15
monoclinic
2/m
3,428.843911
false
[CIF] data_NaNi2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.64368197 _cell_length_b 2.64368197 _cell_length_c 8.67603560 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaNi2W _chemical_formula_sum 'Na1 Ni2 W1' _cell_volume 60.63728442 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.75138325 1 Ni Ni1 1 1.32184098 1.32184098 0.38429511 1 Ni Ni2 1 0.00000000 0.00000000 2.01229627 1 W W3 1 1.32184098 1.32184098 3.86607886 1 [/CIF]
NaNi2W
P4mm
99
tetragonal
4mm
8,878.601416
false
[CIF] data_CoHg3Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02676524 _cell_length_b 5.02676524 _cell_length_c 5.02676524 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoHg3Bi _chemical_formula_sum 'Co1 Hg3 Bi1' _cell_volume 127.01815785 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Bi Bi1 1 2.51338262 2.51338262 2.51338262 1 Hg Hg2 1 0.00000000 2.51338262 0.00000000 1 Hg Hg3 1 0.00000000 0.00000000 2.51338262 1 Hg Hg4 1 2.51338262 0.00000000 0.00000000 1 [/CIF]
BiCoHg3
Pm-3m
221
cubic
m-3m
11,369.583763
false
[CIF] data_Yb3SnO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75193560 _cell_length_b 4.75193560 _cell_length_c 4.75193560 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Yb3SnO _chemical_formula_sum 'Yb3 Sn1 O1' _cell_volume 107.30294432 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O O0 1 0.00000000 0.00000000 0.00000000 1 Sn Sn1 1 2.37596780 2.37596780 2.37596780 1 Yb Yb2 1 0.00000000 0.00000000 2.37596780 1 Yb Yb3 1 0.00000000 2.37596780 0.00000000 1 Yb Yb4 1 2.37596780 0.00000000 0.00000000 1 [/CIF]
OSnYb3
Pm-3m
221
cubic
m-3m
10,118.818371
false
[CIF] data_KAl2V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22564024 _cell_length_b 5.22564024 _cell_length_c 2.82639798 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KAl2V _chemical_formula_sum 'K1 Al2 V1' _cell_volume 77.18134255 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.61282012 0.00000000 1.41319899 1 Al Al1 1 0.00000000 2.61282012 1.41319899 1 K K2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 2.61282012 2.61282012 0.00000000 1 [/CIF]
Al2KV
P4/mmm
123
tetragonal
4/mmm
3,098.189218
false
[CIF] data_TbIn2Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21479798 _cell_length_b 5.21479798 _cell_length_c 5.21479798 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbIn2Ga _chemical_formula_sum 'Tb1 In2 Ga1' _cell_volume 100.27610783 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 5.53112852 5.53112852 5.53112852 1 In In2 1 1.84370951 1.84370951 1.84370951 1 Tb Tb3 1 3.68741902 3.68741902 3.68741902 1 [/CIF]
GaIn2Tb
Fm-3m
225
cubic
m-3m
7,589.036743
false
[CIF] data_SrCuOsAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78052040 _cell_length_b 4.78052040 _cell_length_c 4.78052040 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCuOsAu _chemical_formula_sum 'Sr1 Cu1 Os1 Au1' _cell_volume 77.25214174 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 1.69016920 1.69016919 1.69016919 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 3.38033839 3.38033839 3.38033839 1 Sr Sr3 1 5.07050759 5.07050759 5.07050759 1 [/CIF]
AuCuOsSr
F-43m
216
cubic
-43m
11,572.133247
false
[CIF] data_YBi2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.66915338 _cell_length_b 6.60362382 _cell_length_c 4.49963817 _cell_angle_alpha 70.97024954 _cell_angle_beta 69.40017582 _cell_angle_gamma 39.62957464 _symmetry_Int_Tables_number 1 _chemical_formula_structural YBi2Se _chemical_formula_sum 'Y1 Bi2 Se1' _cell_volume 117.80884233 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.11263430 1.62467315 2.91201628 1 Bi Bi1 1 0.00000000 1.62467315 2.91201628 1 Se Se2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 3.11263430 3.24934630 5.82403257 1 [/CIF]
Bi2SeY
Fmmm
69
orthorhombic
mmm
8,257.715426
false
[CIF] data_MgCoRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65945574 _cell_length_b 3.65945574 _cell_length_c 4.27631420 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCoRe2 _chemical_formula_sum 'Mg1 Co1 Re2' _cell_volume 57.26675900 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.82972787 1.82972787 0.00000000 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 0.00000000 1.82972787 2.13815710 1 Re Re3 1 1.82972787 0.00000000 2.13815710 1 [/CIF]
CoMgRe2
P4/mmm
123
tetragonal
4/mmm
13,212.346635
false
[CIF] data_TaBeNbOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42323531 _cell_length_b 4.42323531 _cell_length_c 4.42323531 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaBeNbOs _chemical_formula_sum 'Ta1 Be1 Nb1 Os1' _cell_volume 61.19347732 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 4.69154952 4.69154952 4.69154952 1 Os Os2 1 3.12769968 3.12769968 3.12769968 1 Ta Ta3 1 1.56384984 1.56384984 1.56384984 1 [/CIF]
BeNbOsTa
F-43m
216
cubic
-43m
12,837.889896
false
[CIF] data_Na4CrGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91611482 _cell_length_b 5.91611482 _cell_length_c 5.91611482 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na4CrGe _chemical_formula_sum 'Na4 Cr1 Ge1' _cell_volume 146.41810628 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 0.00000000 1 Ge Ge1 1 2.09166245 2.09166245 2.09166245 1 Na Na2 1 3.13949089 3.13949089 5.22715893 1 Na Na3 1 3.13949089 5.22715893 3.13949089 1 Na Na4 1 5.22715893 3.13949089 3.13949089 1 Na Na5 1 5.22715893 5.22715893 5.22715893 1 [/CIF]
CrGeNa4
F-43m
216
cubic
-43m
2,456.422654
false
[CIF] data_TiAg2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60828864 _cell_length_b 4.60828864 _cell_length_c 4.60828864 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAg2As _chemical_formula_sum 'Ti1 Ag2 As1' _cell_volume 69.19966972 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.88782822 4.88782822 4.88782822 1 Ag Ag1 1 1.62927607 1.62927607 1.62927607 1 As As2 1 3.25855215 3.25855215 3.25855215 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2AsTi
Fm-3m
225
cubic
m-3m
8,123.362291
false
[CIF] data_ZrIrRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50776328 _cell_length_b 4.50776328 _cell_length_c 4.50776328 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrIrRh2 _chemical_formula_sum 'Zr1 Ir1 Rh2' _cell_volume 64.76916606 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 3.18746998 3.18746998 3.18746998 1 Rh Rh1 1 1.59373499 1.59373499 1.59373499 1 Rh Rh2 1 4.78120497 4.78120497 4.78120497 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrRh2Zr
Fm-3m
225
cubic
m-3m
12,543.34599
false
[CIF] data_TlFe2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00941621 _cell_length_b 3.00941621 _cell_length_c 6.68889214 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlFe2W _chemical_formula_sum 'Tl1 Fe2 W1' _cell_volume 60.57852641 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.50470811 1.50470811 1.35969177 1 Fe Fe1 1 1.50470811 1.50470811 5.32920037 1 Tl Tl2 1 0.00000000 0.00000000 3.34444607 1 W W3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Fe2TlW
P4/mmm
123
tetragonal
4/mmm
13,703.297419
false
[CIF] data_Ta5As4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.20347938 _cell_length_b 7.20347938 _cell_length_c 7.20347938 _cell_angle_alpha 93.27231075 _cell_angle_beta 93.27231075 _cell_angle_gamma 152.35468634 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta5As4 _chemical_formula_sum 'Ta5 As4' _cell_volume 168.41430181 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.07454629 0.51196001 0.00000000 1 As As1 1 4.43415699 2.12842929 1.72103700 1 As As2 1 0.51196001 2.81768771 0.00000000 1 As As3 1 -2.12842929 4.43415699 1.72103700 1 Ta Ta4 1 0.00000000 0.00000000 0.00000000 1 Ta Ta5 1 6.24996632 3.02501998 0.00000000 1 Ta Ta6 1 3.02501998 3.64226768 0.00000000 1 Ta Ta7 1 1.92109702 1.30384932 1.72103700 1 Ta Ta8 1 -1.30384932 1.92109702 1.72103700 1 [/CIF]
As4Ta5
I4/m
87
tetragonal
4/m
11,875.45281
false
[CIF] data_Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48859515 _cell_length_b 2.48859515 _cell_length_c 2.48859515 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu _chemical_formula_sum Cu1 _cell_volume 11.86426560 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 [/CIF]
Cu
Im-3m
229
cubic
m-3m
8,893.986281
false
[CIF] data_SrCr2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62967269 _cell_length_b 4.62967269 _cell_length_c 2.95202341 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCr2Os _chemical_formula_sum 'Sr1 Cr2 Os1' _cell_volume 63.27328371 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.31483635 1.47601170 1 Cr Cr1 1 2.31483635 0.00000000 1.47601170 1 Os Os2 1 2.31483635 2.31483635 0.00000000 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr2OsSr
P4/mmm
123
tetragonal
4/mmm
10,021.062769
false
[CIF] data_Tl2ReGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19995736 _cell_length_b 4.99475679 _cell_length_c 5.31977997 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2ReGe _chemical_formula_sum 'Tl2 Re1 Ge1' _cell_volume 85.02608982 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 1.59997868 0.00000000 2.65988998 1 Tl Tl2 1 1.59997868 2.49737840 0.00000000 1 Tl Tl3 1 0.00000000 2.49737840 2.65988998 1 [/CIF]
GeReTl2
Pmmm
47
orthorhombic
mmm
13,038.3329
false
[CIF] data_LaNbB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68294437 _cell_length_b 4.68294437 _cell_length_c 4.68294437 _cell_angle_alpha 132.77062375 _cell_angle_beta 107.83168076 _cell_angle_gamma 90.84303783 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaNbB2 _chemical_formula_sum 'La1 Nb1 B2' _cell_volume 68.02556975 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.75812757 2.05593825 1 B B1 1 1.87591228 0.00000000 1.23095289 1 La La2 1 0.00000000 -0.00000000 3.28689114 1 Nb Nb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2LaNb
Immm
71
orthorhombic
mmm
6,186.450335
false
[CIF] data_InSb5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18857482 _cell_length_b 3.18857482 _cell_length_c 16.43056482 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InSb5 _chemical_formula_sum 'In1 Sb5' _cell_volume 167.04970669 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 0.00000000 0.00000000 0.00000000 1 Sb Sb1 1 1.59428741 1.59428741 13.73210793 1 Sb Sb2 1 1.59428741 1.59428741 2.69845689 1 Sb Sb3 1 0.00000000 0.00000000 10.93003349 1 Sb Sb4 1 0.00000000 0.00000000 5.50053133 1 Sb Sb5 1 1.59428741 1.59428741 8.21528241 1 [/CIF]
InSb5
P4/mmm
123
tetragonal
4/mmm
7,193.044406
false
[CIF] data_PdAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87105972 _cell_length_b 4.75908951 _cell_length_c 4.90713674 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PdAu _chemical_formula_sum 'Pd2 Au2' _cell_volume 67.04930174 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 1.43552986 0.00000000 2.88410924 1 Au Au1 1 0.00000000 2.37954475 2.02302750 1 Pd Pd2 1 1.43552986 2.37954475 4.50835938 1 Pd Pd3 1 0.00000000 0.00000000 0.39877736 1 [/CIF]
Au2Pd2
Pmmn
59
orthorhombic
mmm
15,027.307878
false
[CIF] data_TiIr2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06172930 _cell_length_b 3.06172930 _cell_length_c 7.04069708 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiIr2Cl _chemical_formula_sum 'Ti1 Ir2 Cl1' _cell_volume 66.00080616 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 1.53086465 1.53086465 2.07699480 1 Ir Ir2 1 1.53086465 1.53086465 4.96370228 1 Ti Ti3 1 0.00000000 0.00000000 3.52034854 1 [/CIF]
ClIr2Ti
P4/mmm
123
tetragonal
4/mmm
11,768.398536
false
[CIF] data_NbCo3P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10048494 _cell_length_b 4.10048494 _cell_length_c 4.10048494 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCo3P _chemical_formula_sum 'Nb1 Co3 P1' _cell_volume 68.94545842 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 2.05024247 2.05024247 2.05024247 1 Co Co2 1 0.00000000 2.05024247 0.00000000 1 Co Co3 1 0.00000000 0.00000000 2.05024247 1 Co Co4 1 2.05024247 0.00000000 0.00000000 1 [/CIF]
Co3NbP
Pm-3m
221
cubic
m-3m
7,241.817586
false
[CIF] data_KGaTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93418087 _cell_length_b 2.93418087 _cell_length_c 8.01167357 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KGaTc _chemical_formula_sum 'K1 Ga1 Tc1' _cell_volume 59.73483093 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000001 1.69405012 7.73278561 1 K K1 1 0.00000000 0.00000000 2.65648981 1 Tc Tc2 1 1.46709042 0.84702506 5.63407172 1 [/CIF]
GaKTc
P3m1
156
trigonal
3m
5,774.514199
false
[CIF] data_HgBSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.15405204 _cell_length_b 6.15405204 _cell_length_c 6.15405204 _cell_angle_alpha 147.99151221 _cell_angle_beta 147.99151221 _cell_angle_gamma 45.89789581 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgBSb _chemical_formula_sum 'Hg1 B1 Sb1' _cell_volume 65.25805248 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.01339534 1 Hg Hg1 1 -0.00000000 -0.00000000 7.74986983 1 Sb Sb2 1 0.00000000 -0.00000000 4.90463511 1 [/CIF]
BHgSb
I4mm
107
tetragonal
4mm
8,477.527336
false
[CIF] data_NbC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27787177 _cell_length_b 5.27787177 _cell_length_c 5.44905935 _cell_angle_alpha 117.45980773 _cell_angle_beta 117.45980773 _cell_angle_gamma 32.96295840 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbC _chemical_formula_sum 'Nb3 C3' _cell_volume 72.41153243 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 1.63194747 0.00000000 4.68236294 1 C C1 1 6.27836187 0.00000000 1.11489110 1 C C2 1 4.13865826 -0.00000000 2.75972064 1 Nb Nb3 1 -1.82582353 0.00000000 4.31247028 1 Nb Nb4 1 8.40247712 -0.00000000 1.17638055 1 Nb Nb5 1 0.88214563 -0.00000000 2.67593516 1 [/CIF]
C3Nb3
Cm
8
monoclinic
m
7,217.865894
false
[CIF] data_AlTcOsW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38385036 _cell_length_b 4.38385036 _cell_length_c 4.38385036 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlTcOsW _chemical_formula_sum 'Al1 Tc1 Os1 W1' _cell_volume 59.57336987 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 3.09985032 3.09985032 3.09985032 1 Tc Tc2 1 1.54992516 1.54992516 1.54992516 1 W W3 1 4.64977548 4.64977548 4.64977548 1 [/CIF]
AlOsTcW
F-43m
216
cubic
-43m
13,935.746097
false
[CIF] data_Sr3Mg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.58143243 _cell_length_b 7.58143243 _cell_length_c 7.58143243 _cell_angle_alpha 146.90963289 _cell_angle_beta 63.25819241 _cell_angle_gamma 127.74586651 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr3Mg _chemical_formula_sum 'Sr3 Mg1' _cell_volume 186.11695328 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.15897500 -0.00000000 0.63382369 1 Sr Sr1 1 0.00000000 9.23384334 0.33930707 1 Sr Sr2 1 0.00000000 3.67674066 0.33930707 1 Mg Mg3 1 -0.00000000 0.00000000 4.25187496 1 [/CIF]
MgSr3
Imm2
44
orthorhombic
mm2
2,562.091699
false
[CIF] data_CaFeNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.98045855 _cell_length_b 3.08669875 _cell_length_c 6.69820686 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaFeNi2 _chemical_formula_sum 'Ca1 Fe1 Ni2' _cell_volume 61.62201397 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 0.00000000 0.00000000 3.34910343 1 Ni Ni2 1 1.49022928 1.54334938 4.59656401 1 Ni Ni3 1 1.49022928 1.54334938 2.10164285 1 [/CIF]
CaFeNi2
Pmmm
47
orthorhombic
mmm
5,748.096068
false
[CIF] data_LaPbCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48947768 _cell_length_b 3.48947768 _cell_length_c 11.15481090 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaPbCl2 _chemical_formula_sum 'La1 Pb1 Cl2' _cell_volume 135.82604715 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.74473884 1.74473884 9.50240615 1 Cl Cl1 1 1.74473884 1.74473884 1.65240475 1 La La2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 0.00000000 0.00000000 5.57740545 1 [/CIF]
Cl2LaPb
P4/mmm
123
tetragonal
4/mmm
5,098.166749
false