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_TmPuPa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07859847 _cell_length_b 5.07859847 _cell_length_c 5.07859847 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TmPuPa2 _chemical_formula_sum 'Tm1 Pu1 Pa2' _cell_volume 92.62252901 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pa Pa0 1 1.79555571 1.79555571 1.79555571 1 Pa Pa1 1 5.38666713 5.38666713 5.38666713 1 Pu Pu2 1 3.59111142 3.59111142 3.59111142 1 Tm Tm3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pa2PuTm
Fm-3m
225
cubic
m-3m
15,687.129387
false
[CIF] data_CsNiB3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16190690 _cell_length_b 4.16190690 _cell_length_c 4.16190690 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsNiB3 _chemical_formula_sum 'Cs1 Ni1 B3' _cell_volume 72.09034153 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.08095345 2.08095345 2.08095345 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 B B2 1 0.00000000 2.08095345 0.00000000 1 B B3 1 0.00000000 0.00000000 2.08095345 1 B B4 1 2.08095345 0.00000000 0.00000000 1 [/CIF]
B3CsNi
Pm-3m
221
cubic
m-3m
5,160.381187
false
[CIF] data_TlGaRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14528478 _cell_length_b 3.14528478 _cell_length_c 6.68491752 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlGaRu _chemical_formula_sum 'Tl1 Ga1 Ru1' _cell_volume 57.27256467 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.29867362 1 Ru Ru1 1 -0.00000000 1.81593101 2.05226881 1 Tl Tl2 1 1.57264239 0.90796551 4.33397515 1 [/CIF]
GaRuTl
P3m1
156
trigonal
3m
10,877.719662
false
[CIF] data_MnSbP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38054201 _cell_length_b 4.38054201 _cell_length_c 4.38054201 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnSbP _chemical_formula_sum 'Mn1 Sb1 P1' _cell_volume 59.43859716 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 3.09751096 3.09751096 3.09751096 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 1.54875548 1.54875548 1.54875548 1 [/CIF]
MnPSb
F-43m
216
cubic
-43m
5,801.737676
false
[CIF] data_Li9Mn2Co5O16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11468507 _cell_length_b 2.85758634 _cell_length_c 19.33971485 _cell_angle_alpha 90.00000000 _cell_angle_beta 96.20081058 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li9Mn2Co5O16 _chemical_formula_sum 'Li9 Mn2 Co5 O16' _cell_volume 281.00884889 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -1.15278895 0.00000000 16.81475899 1 Li Li1 1 0.64193709 0.00000000 11.88940655 1 Li Li2 1 2.37305586 0.00000000 7.29120261 1 Li Li3 1 4.17084812 0.00000000 2.48741764 1 Li Li4 1 1.32351030 1.42879317 16.81779371 1 Li Li5 1 3.18698349 1.42879317 11.88754311 1 Li Li6 1 -0.13708995 1.42879317 7.27285642 1 Li Li7 1 1.67539911 1.42879317 2.46817184 1 Li Li8 1 4.06853611 0.00000000 9.59806894 1 Mn Mn9 1 5.11073423 1.42879317 0.00535768 1 Mn Mn10 1 -0.28281205 1.42879317 14.39242347 1 Co Co11 1 1.51525100 1.42879317 9.61108763 1 Co Co12 1 3.31534397 1.42879317 4.83880578 1 Co Co13 1 2.55639624 0.00000000 0.00366651 1 Co Co14 1 2.28465840 0.00000000 14.43710428 1 Co Co15 1 0.75088310 0.00000000 4.79030945 1 O O16 1 2.15439152 0.00000000 18.20031997 1 O O17 1 -1.00536397 0.00000000 13.28255472 1 O O18 1 0.74984917 0.00000000 8.55177533 1 O O19 1 2.42134083 0.00000000 3.72567909 1 O O20 1 -0.24791516 1.42879317 18.11702183 1 O O21 1 1.61380675 1.42879317 13.34909249 1 O O22 1 3.00564564 1.42879317 8.54938009 1 O O23 1 -0.04922334 1.42879317 3.70666997 1 O O24 1 0.42040388 0.00000000 15.54462162 1 O O25 1 2.28453527 0.00000000 10.67642803 1 O O26 1 4.22520603 0.00000000 5.89360310 1 O O27 1 0.87043733 0.00000000 1.02199642 1 O O28 1 2.95222741 1.42879317 15.56073310 1 O O29 1 0.01928268 1.42879317 10.66828501 1 O O30 1 1.53337835 1.42879317 5.83255048 1 O O31 1 3.26656654 1.42879317 1.11181313 1 [/CIF]
Co5Li9Mn2O16
Pm
6
monoclinic
m
4,272.364314
false
[CIF] data_PdW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56255522 _cell_length_b 4.56255522 _cell_length_c 2.65510108 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PdW2 _chemical_formula_sum 'Pd1 W2' _cell_volume 47.86609058 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 0.00000000 0.00000000 0.00000000 1 W W1 1 2.28127761 1.31709624 0.89969329 1 W W2 1 -0.00000000 2.63419248 1.75540779 1 [/CIF]
PdW2
P-3m1
164
trigonal
-3m
16,446.696975
false
[CIF] data_Zn2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78857450 _cell_length_b 4.78857450 _cell_length_c 5.25128450 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2As _chemical_formula_sum 'Zn4 As2' _cell_volume 104.28183794 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 -0.00000000 2.76468478 3.93846337 1 As As1 1 2.39428725 1.38234239 1.31282112 1 Zn Zn2 1 0.00000000 0.00000000 2.62564225 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 Zn Zn4 1 2.39428725 1.38234239 3.93846337 1 Zn Zn5 1 -0.00000000 2.76468478 1.31282112 1 [/CIF]
As2Zn4
P6_3/mmc
194
hexagonal
6/mmm
6,550.370395
false
[CIF] data_InTeMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26565591 _cell_length_b 3.26565591 _cell_length_c 8.07282173 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InTeMo2 _chemical_formula_sum 'In1 Te1 Mo2' _cell_volume 86.09267614 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.59114749 1 Mo Mo1 1 1.63282796 1.63282796 0.34060704 1 Mo Mo2 1 0.00000000 0.00000000 1.74154870 1 Te Te3 1 1.63282796 1.63282796 3.43592944 1 [/CIF]
InMo2Te
P4mm
99
tetragonal
4mm
8,377.428249
false
[CIF] data_ScNiSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46928790 _cell_length_b 4.46928790 _cell_length_c 4.46928790 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScNiSb _chemical_formula_sum 'Sc1 Ni1 Sb1' _cell_volume 63.12479733 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 3.16026378 3.16026378 3.16026378 1 Sb Sb1 1 4.74039567 4.74039567 4.74039567 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NiSbSc
F-43m
216
cubic
-43m
5,929.539331
false
[CIF] data_CdGaBiPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94728869 _cell_length_b 4.94728869 _cell_length_c 4.94728869 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdGaBiPt _chemical_formula_sum 'Cd1 Ga1 Bi1 Pt1' _cell_volume 85.62227490 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.24739207 5.24739207 5.24739207 1 Cd Cd1 1 1.74913069 1.74913069 1.74913069 1 Ga Ga2 1 0.00000000 -0.00000000 0.00000000 1 Pt Pt3 1 3.49826138 3.49826138 3.49826138 1 [/CIF]
BiCdGaPt
F-43m
216
cubic
-43m
11,368.599411
false
[CIF] data_TiNi2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58648335 _cell_length_b 3.58648335 _cell_length_c 3.74160145 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiNi2P _chemical_formula_sum 'Ti1 Ni2 P1' _cell_volume 48.12770618 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 1.79324168 0.00000000 1.87080073 1 Ni Ni1 1 0.00000000 1.79324168 1.87080073 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Ti Ti3 1 1.79324168 1.79324168 0.00000000 1 [/CIF]
Ni2PTi
P4/mmm
123
tetragonal
4/mmm
6,770.39399
false
[CIF] data_KYRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92916825 _cell_length_b 4.92916825 _cell_length_c 3.45878203 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KYRh2 _chemical_formula_sum 'K1 Y1 Rh2' _cell_volume 84.03698809 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 0.00000000 1 Rh Rh1 1 0.00000000 2.46458413 1.72939102 1 Rh Rh2 1 2.46458413 0.00000000 1.72939102 1 Y Y3 1 2.46458413 2.46458413 0.00000000 1 [/CIF]
KRh2Y
P4/mmm
123
tetragonal
4/mmm
6,596.060975
false
[CIF] data_SrIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.08197680 _cell_length_b 4.08197680 _cell_length_c 4.08197680 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrIn _chemical_formula_sum 'Sr1 In1' _cell_volume 68.01607967 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.04098840 2.04098840 2.04098840 1 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
In2Sr2
Pm-3m
221
cubic
m-3m
4,942.347927
false
[CIF] data_LiScCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46333731 _cell_length_b 4.46333731 _cell_length_c 4.46333731 _cell_angle_alpha 121.46004775 _cell_angle_beta 121.46004775 _cell_angle_gamma 87.48919520 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiScCu2 _chemical_formula_sum 'Li1 Sc1 Cu2' _cell_volume 61.42138411 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.18223901 1.61222252 1 Cu Cu1 1 2.18223901 -0.00000000 1.61222252 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Sc Sc3 1 0.00000000 0.00000000 3.22444503 1 [/CIF]
Cu2LiSc
I4/mmm
139
tetragonal
4/mmm
4,839.000051
false
[CIF] data_V3Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23132548 _cell_length_b 4.23132548 _cell_length_c 4.23132548 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V3Ru _chemical_formula_sum 'V3 Ru1' _cell_volume 53.56909404 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.99199894 2.99199894 2.99199894 1 V V1 1 1.49599947 1.49599947 1.49599947 1 V V2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 4.48799841 4.48799841 4.48799841 1 [/CIF]
RuV3
Fm-3m
225
cubic
m-3m
7,870.242041
false
[CIF] data_ScMn2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77211932 _cell_length_b 4.77211932 _cell_length_c 4.77211932 _cell_angle_alpha 131.91809548 _cell_angle_beta 131.91809548 _cell_angle_gamma 70.35841697 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScMn2Ni _chemical_formula_sum 'Sc1 Mn2 Ni1' _cell_volume 58.96899592 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 1.94411129 -0.00000000 1.95025545 1 Mn Mn1 1 -0.00000000 1.94411129 1.95025546 1 Ni Ni2 1 0.00000000 -0.00000000 3.90051091 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mn2NiSc
I4/mmm
139
tetragonal
4/mmm
6,012.774445
false
[CIF] data_NaZnCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.77247022 _cell_length_b 2.82674330 _cell_length_c 7.81942341 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.11157852 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZnCo2 _chemical_formula_sum 'Na1 Zn1 Co2' _cell_volume 61.28118694 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.73644914 0.00000000 7.65168876 1 Co Co1 1 1.35337814 1.41337165 6.36830956 1 Na Na2 1 0.02414099 0.00000000 4.03880836 1 Zn Zn3 1 1.39290309 1.41337165 1.48971478 1 [/CIF]
Co2NaZn
Pm
6
monoclinic
m
5,588.390443
false
[CIF] data_NaLiCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65578551 _cell_length_b 4.65578551 _cell_length_c 5.36065774 _cell_angle_alpha 97.74765389 _cell_angle_beta 97.74765389 _cell_angle_gamma 33.69402733 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLiCu2 _chemical_formula_sum 'Na1 Li1 Cu2' _cell_volume 63.81984829 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.05724470 0.00000000 5.00568806 1 Cu Cu1 1 1.71443372 0.00000000 4.04866242 1 Li Li2 1 4.18322454 -0.00000000 2.92548881 1 Na Na3 1 6.43724325 -0.00000000 1.28819264 1 [/CIF]
Cu2LiNa
Cm
8
monoclinic
m
4,085.601105
false
[CIF] data_HfFe2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53210800 _cell_length_b 4.53210800 _cell_length_c 4.53210800 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfFe2Hg _chemical_formula_sum 'Hf1 Fe2 Hg1' _cell_volume 65.82422490 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Fe Fe1 1 4.80702645 4.80702645 4.80702645 1 Hf Hf2 1 3.20468430 3.20468430 3.20468430 1 Hg Hg3 1 1.60234215 1.60234215 1.60234215 1 [/CIF]
Fe2HfHg
F-43m
216
cubic
-43m
12,380.590261
false
[CIF] data_TiCuGeC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16615535 _cell_length_b 4.16615535 _cell_length_c 4.16615535 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCuGeC _chemical_formula_sum 'Ti1 Cu1 Ge1 C1' _cell_volume 51.13183547 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 1.47295835 1.47295835 1.47295835 1 Ge Ge2 1 2.94591670 2.94591670 2.94591670 1 Ti Ti3 1 4.41887505 4.41887505 4.41887505 1 [/CIF]
CCuGeTi
F-43m
216
cubic
-43m
6,367.294082
false
[CIF] data_LaYCr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64685699 _cell_length_b 3.64685699 _cell_length_c 7.30641285 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaYCr2 _chemical_formula_sum 'La1 Y1 Cr2' _cell_volume 97.17211923 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.82342849 1.82342849 1.74133423 1 Cr Cr1 1 1.82342849 1.82342849 5.56507862 1 La La2 1 0.00000000 0.00000000 3.65320643 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr2LaY
P4/mmm
123
tetragonal
4/mmm
5,670.06989
false
[CIF] data_CrGa2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36233241 _cell_length_b 4.79849002 _cell_length_c 4.69266909 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.40574069 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrGa2Br _chemical_formula_sum 'Cr1 Ga2 Br1' _cell_volume 74.21686917 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.46400069 0.00000000 2.29999764 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Ga Ga2 1 1.52648163 2.39924501 3.57231342 1 Ga Ga3 1 0.90784939 2.39924501 1.02768187 1 [/CIF]
BrCrGa2
P2/m
10
monoclinic
2/m
6,071.137258
false
[CIF] data_Ba2TiCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.15309669 _cell_length_b 6.15309669 _cell_length_c 6.15309669 _cell_angle_alpha 134.54646140 _cell_angle_beta 134.54646140 _cell_angle_gamma 66.23571874 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2TiCr _chemical_formula_sum 'Ba2 Ti1 Cr1' _cell_volume 116.48870219 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.37716905 -0.00000000 2.57675831 1 Ba Ba1 1 -0.00000000 2.37716905 2.57675831 1 Cr Cr2 1 0.00000000 -0.00000000 5.15351662 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba2CrTi
I4/mmm
139
tetragonal
4/mmm
5,338.717523
false
[CIF] data_TaMoPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95241204 _cell_length_b 4.95241204 _cell_length_c 2.78878693 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.76027696 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaMoPd2 _chemical_formula_sum 'Ta1 Mo1 Pd2' _cell_volume 63.52496925 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 0.00000000 0.00000000 0.00000000 1 Pd Pd1 1 1.38896836 -2.04996662 1.39439347 1 Pd Pd2 1 1.38896836 2.04996663 1.39439347 1 Ta Ta3 1 2.77793671 -0.00000000 0.00000000 1 [/CIF]
MoPd2Ta
Cmmm
65
orthorhombic
mmm
12,802.01304
false
[CIF] data_Al2VAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48605426 _cell_length_b 4.48605426 _cell_length_c 4.48605426 _cell_angle_alpha 121.21742684 _cell_angle_beta 121.21742684 _cell_angle_gamma 87.90397957 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2VAg _chemical_formula_sum 'Al2 V1 Ag1' _cell_volume 62.61768589 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.22960748 1 Al Al1 1 0.00000000 2.20162648 1.61480374 1 Al Al2 1 2.20162648 0.00000000 1.61480374 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgAl2V
I4/mmm
139
tetragonal
4/mmm
5,642.455543
false
[CIF] data_Na3Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.35847568 _cell_length_b 6.35847568 _cell_length_c 5.21392900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na3Rh _chemical_formula_sum 'Na6 Rh2' _cell_volume 182.55838004 _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 0.00000000 1.95450211 3.91044675 1 Na Na1 1 1.48658936 4.52935041 3.91044675 1 Na Na2 1 -1.48658936 4.52935041 3.91044675 1 Na Na3 1 3.17923784 3.55209935 1.30348225 1 Na Na4 1 1.69264848 0.97725106 1.30348225 1 Na Na5 1 4.66582720 0.97725106 1.30348225 1 Rh Rh6 1 -0.00000000 3.67106764 1.30348225 1 Rh Rh7 1 3.17923784 1.83553382 3.91044675 1 [/CIF]
Na6Rh2
P6_3/mmc
194
hexagonal
6/mmm
3,126.724093
false
[CIF] data_VIr2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83601136 _cell_length_b 3.83601136 _cell_length_c 3.83561155 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VIr2Os _chemical_formula_sum 'V1 Ir2 Os1' _cell_volume 56.44095934 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.91800568 1.91780577 1 Ir Ir1 1 1.91800568 0.00000000 1.91780577 1 Os Os2 1 1.91800568 1.91800568 0.00000000 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ir2OsV
P4/mmm
123
tetragonal
4/mmm
18,405.824159
false
[CIF] data_SrCd2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61306689 _cell_length_b 3.61306689 _cell_length_c 7.08184574 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCd2Ru _chemical_formula_sum 'Sr1 Cd2 Ru1' _cell_volume 92.44820141 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.80653345 1.80653345 2.16531017 1 Cd Cd1 1 1.80653345 1.80653345 4.91653557 1 Ru Ru2 1 0.00000000 0.00000000 3.54092287 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cd2RuSr
P4/mmm
123
tetragonal
4/mmm
7,427.931664
false
[CIF] data_NaScSb4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.26408063 _cell_length_b 6.26408063 _cell_length_c 6.26408063 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaScSb4 _chemical_formula_sum 'Na1 Sc1 Sb4' _cell_volume 173.80290034 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sb Sb1 1 5.53588440 5.53588440 3.32286338 1 Sb Sb2 1 5.53588440 3.32286338 5.53588440 1 Sb Sb3 1 3.32286338 5.53588440 5.53588440 1 Sb Sb4 1 3.32286338 3.32286338 3.32286338 1 Sc Sc5 1 6.64406084 6.64406084 6.64406084 1 [/CIF]
NaSb4Sc
F-43m
216
cubic
-43m
5,302.416722
false
[CIF] data_TeAsF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58507857 _cell_length_b 4.58507857 _cell_length_c 4.58507857 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TeAsF3 _chemical_formula_sum 'Te1 As1 F3' _cell_volume 96.39185686 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 F F1 1 0.00000000 2.29253929 2.29253929 1 F F2 1 2.29253929 0.00000000 2.29253929 1 F F3 1 2.29253929 2.29253929 0.00000000 1 Te Te4 1 2.29253929 2.29253929 2.29253929 1 [/CIF]
AsF3Te
Pm-3m
221
cubic
m-3m
4,470.686786
false
[CIF] data_SnBRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.78017575 _cell_length_b 6.78017575 _cell_length_c 6.78017575 _cell_angle_alpha 27.16007545 _cell_angle_beta 27.16007545 _cell_angle_gamma 27.16007545 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnBRu2 _chemical_formula_sum 'Sn1 B1 Ru2' _cell_volume 57.29843771 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 -0.00000000 0.00000000 5.41678124 1 Ru Ru2 1 0.00000000 0.00000000 14.16185885 1 Sn Sn3 1 0.00000000 -0.00000000 9.78932004 1 [/CIF]
BRu2Sn
R-3m
166
trigonal
-3m
9,611.711405
false
[CIF] data_V7Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44280634 _cell_length_b 5.44280634 _cell_length_c 5.44280634 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V7Au _chemical_formula_sum 'V7 Au1' _cell_volume 114.01280948 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 3.84864527 3.84864527 3.84864527 1 V V1 1 1.92432264 1.92432264 3.84864527 1 V V2 1 1.92432264 3.84864527 1.92432264 1 V V3 1 -0.00000000 1.92432264 1.92432264 1 V V4 1 3.84864527 1.92432264 1.92432264 1 V V5 1 1.92432264 -0.00000000 1.92432264 1 V V6 1 1.92432264 1.92432264 0.00000000 1 V V7 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuV7
Fm-3m
225
cubic
m-3m
8,062.279518
false
[CIF] data_CO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.26684030 _cell_length_b 6.26684030 _cell_length_c 6.26684030 _cell_angle_alpha 84.97684098 _cell_angle_beta 84.97684098 _cell_angle_gamma 84.97684098 _symmetry_Int_Tables_number 1 _chemical_formula_structural CO _chemical_formula_sum 'C8 O8' _cell_volume 243.43974136 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 -0.88044739 -3.00426661 6.47410495 1 C C1 1 -0.00000000 0.00000000 11.19951460 1 C C2 1 1.19088717 -1.70421210 8.43519945 1 C C3 1 -2.07133455 -0.17923249 8.43519945 1 C C4 1 0.88044739 1.88344459 8.43519945 1 C C5 1 -0.00000000 0.00000000 5.31623110 1 C C6 1 3.04199490 0.73964350 6.47410495 1 C C7 1 -2.16154751 2.26462311 6.47410495 1 O O8 1 1.98796532 -2.02664368 5.47119503 1 O O9 1 -0.76114225 -2.15276090 3.51010053 1 O O10 1 -2.74910757 -0.70830663 5.47119503 1 O O11 1 -0.00000000 0.00000000 6.45784493 1 O O12 1 2.24491675 0.41721192 3.51010053 1 O O13 1 0.76114225 2.73495030 5.47119503 1 O O14 1 -1.48377450 1.73554897 3.51010053 1 O O15 1 0.00000000 0.00000000 0.57456143 1 [/CIF]
C8O8
R3c
161
trigonal
3m
1,528.488801
false
[CIF] data_AlCdAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10483570 _cell_length_b 3.47123345 _cell_length_c 6.65365364 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.18212729 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCdAu2 _chemical_formula_sum 'Al1 Cd1 Au2' _cell_volume 71.65847940 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Au Au1 1 1.46576642 1.73561673 1.46216194 1 Au Au2 1 1.38572410 1.73561673 5.18666675 1 Cd Cd3 1 -0.12667259 0.00000000 3.32441434 1 [/CIF]
AlAu2Cd
P2/m
10
monoclinic
2/m
12,358.734495
false
[CIF] data_Nb2SbRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06598922 _cell_length_b 3.06598922 _cell_length_c 7.72939720 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 94.31737599 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2SbRu _chemical_formula_sum 'Nb2 Sb1 Ru1' _cell_volume 72.45239482 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 0.00000000 7.72037908 1 Nb Nb1 1 2.08478121 0.00000000 5.60242438 1 Ru Ru2 1 0.00000000 0.00000000 3.88946653 1 Sb Sb3 1 2.08478121 0.00000000 2.11122301 1 [/CIF]
Nb2RuSb
Cmm2
35
orthorhombic
mm2
9,365.698248
false
[CIF] data_NaPa2Be _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93132008 _cell_length_b 4.93132008 _cell_length_c 4.93132008 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaPa2Be _chemical_formula_sum 'Na1 Pa2 Be1' _cell_volume 84.79584634 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Na Na1 1 3.48696987 3.48696987 3.48696987 1 Pa Pa2 1 1.74348493 1.74348493 1.74348493 1 Pa Pa3 1 5.23045480 5.23045480 5.23045480 1 [/CIF]
BeNaPa2
Fm-3m
225
cubic
m-3m
9,675.340653
false
[CIF] data_YBeCoOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38879030 _cell_length_b 4.38879030 _cell_length_c 4.38879030 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YBeCoOs _chemical_formula_sum 'Y1 Be1 Co1 Os1' _cell_volume 59.77498728 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.10334338 3.10334338 3.10334338 1 Os Os2 1 4.65501507 4.65501507 4.65501507 1 Y Y3 1 1.55167169 1.55167169 1.55167169 1 [/CIF]
BeCoOsY
F-43m
216
cubic
-43m
9,641.857957
false
[CIF] data_ZrTi2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32578475 _cell_length_b 5.32578475 _cell_length_c 5.32578475 _cell_angle_alpha 133.71243462 _cell_angle_beta 133.71243462 _cell_angle_gamma 67.53750491 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTi2Hg _chemical_formula_sum 'Zr1 Ti2 Hg1' _cell_volume 77.59530476 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.42725954 1 Ti Ti1 1 0.00000000 2.09324583 2.21362977 1 Ti Ti2 1 2.09324583 -0.00000000 2.21362977 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgTi2Zr
I4/mmm
139
tetragonal
4/mmm
8,293.524926
false
[CIF] data_ZrCdRuC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46973122 _cell_length_b 4.46973122 _cell_length_c 4.46973122 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCdRuC _chemical_formula_sum 'Zr1 Cd1 Ru1 C1' _cell_volume 63.14358386 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Zr Zr1 1 4.74086589 4.74086589 4.74086589 1 Ru Ru2 1 3.16057726 3.16057726 3.16057726 1 Cd Cd3 1 1.58028863 1.58028863 1.58028863 1 [/CIF]
CCdRuZr
F-43m
216
cubic
-43m
8,328.934797
false
[CIF] data_YSi2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07433132 _cell_length_b 3.50214285 _cell_length_c 6.58584540 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YSi2Pt _chemical_formula_sum 'Y1 Si2 Pt1' _cell_volume 70.90813417 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 0.00000000 0.00000000 3.29292270 1 Si Si1 1 1.53716566 1.75107142 4.56744988 1 Si Si2 1 1.53716566 1.75107142 2.01839552 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PtSi2Y
Pmmm
47
orthorhombic
mmm
7,965.946177
false
[CIF] data_ScTiHgPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10519406 _cell_length_b 5.10519406 _cell_length_c 5.10519406 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTiHgPb _chemical_formula_sum 'Sc1 Ti1 Hg1 Pb1' _cell_volume 94.08529875 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 1.80495867 1.80495867 1.80495867 1 Pb Pb1 1 3.60991734 3.60991734 3.60991734 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Ti Ti3 1 5.41487601 5.41487601 5.41487601 1 [/CIF]
HgPbScTi
F-43m
216
cubic
-43m
8,835.464293
false
[CIF] data_Zr2ZnP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50003808 _cell_length_b 5.50003808 _cell_length_c 5.50003808 _cell_angle_alpha 138.36823224 _cell_angle_beta 138.36823224 _cell_angle_gamma 60.33949942 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2ZnP _chemical_formula_sum 'Zr2 Zn1 P1' _cell_volume 72.65981899 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Zn Zn1 1 1.95452712 0.00000000 2.37750218 1 Zr Zr2 1 0.00000000 -0.00000000 4.75500435 1 Zr Zr3 1 -0.00000000 1.95452712 2.37750217 1 [/CIF]
PZnZr2
I-4m2
119
tetragonal
-42m
6,371.626355
false
[CIF] data_K2AsRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06877045 _cell_length_b 6.41949873 _cell_length_c 6.41949873 _cell_angle_alpha 49.76822400 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2AsRh _chemical_formula_sum 'K2 As1 Rh1' _cell_volume 128.00860466 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 6.69670674 1 K K1 1 2.03438522 -0.00000000 11.43886537 1 K K2 1 0.00000000 0.00000000 3.19675109 1 Rh Rh3 1 2.03438522 -0.00000000 7.81507204 1 [/CIF]
AsK2Rh
Amm2
38
orthorhombic
mm2
3,321.164029
false
[CIF] data_BaYZnNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23938905 _cell_length_b 5.23938905 _cell_length_c 5.23938905 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaYZnNi _chemical_formula_sum 'Ba1 Y1 Zn1 Ni1' _cell_volume 101.70140383 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.85240377 1.85240377 1.85240377 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 5.55721130 5.55721130 5.55721130 1 Zn Zn3 1 3.70480753 3.70480753 3.70480753 1 [/CIF]
BaNiYZn
F-43m
216
cubic
-43m
5,719.657659
false
[CIF] data_V9O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36134295 _cell_length_b 5.36134295 _cell_length_c 17.72572538 _cell_angle_alpha 97.88126122 _cell_angle_beta 97.88126122 _cell_angle_gamma 31.79992629 _symmetry_Int_Tables_number 1 _chemical_formula_structural V9O13 _chemical_formula_sum 'V9 O13' _cell_volume 265.74486907 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy V V0 1 3.89260055 -0.00000000 8.77231930 1 V V1 1 6.52312520 -0.00000000 0.74353722 1 V V2 1 1.26207590 -0.00000000 16.80110138 1 V V3 1 6.59139889 0.00000000 7.33496391 1 V V4 1 1.19380221 -0.00000000 10.20967470 1 V V5 1 9.27567931 -0.00000000 2.18646690 1 V V6 1 -1.49047821 -0.00000000 15.35817170 1 V V7 1 9.20620429 -0.00000000 5.67054124 1 V V8 1 -1.42100319 -0.00000000 11.87409737 1 O O9 1 0.00000000 0.00000000 0.00000000 1 O O10 1 8.64736037 0.00000000 4.06895276 1 O O11 1 -0.86215927 -0.00000000 13.47568584 1 O O12 1 2.81655369 0.00000000 1.22883315 1 O O13 1 4.96864741 -0.00000000 16.31580545 1 O O14 1 5.32669278 -0.00000000 2.37170021 1 O O15 1 2.45850832 -0.00000000 15.17293839 1 O O16 1 5.29300559 -0.00000000 5.76123175 1 O O17 1 2.49219551 -0.00000000 11.78340685 1 O O18 1 2.93819356 0.00000000 6.78887984 1 O O19 1 4.84700754 -0.00000000 10.75575877 1 O O20 1 0.16442264 -0.00000000 8.28505311 1 O O21 1 7.62077846 -0.00000000 9.25958550 1 [/CIF]
O13V9
C2/m
12
monoclinic
2/m
4,164.491884
false
[CIF] data_NaV2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25948057 _cell_length_b 3.25948057 _cell_length_c 8.08071375 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaV2Bi _chemical_formula_sum 'Na1 V2 Bi1' _cell_volume 85.85122881 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62974029 1.62974029 3.57248072 1 Na Na1 1 0.00000000 0.00000000 6.29542833 1 V V2 1 1.62974029 1.62974029 0.62749013 1 V V3 1 0.00000000 0.00000000 1.62567145 1 [/CIF]
BiNaV2
P4mm
99
tetragonal
4mm
6,457.405884
false
[CIF] data_ZrB2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39864740 _cell_length_b 3.50619225 _cell_length_c 4.55928490 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrB2Se _chemical_formula_sum 'Zr1 B2 Se1' _cell_volume 54.32985760 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.75309612 2.27964245 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Se Se2 1 1.69932370 0.00000000 2.27964245 1 Zr Zr3 1 1.69932370 1.75309612 0.00000000 1 [/CIF]
B2SeZr
Pmmm
47
orthorhombic
mmm
5,862.36317
false
[CIF] data_NaPa2O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.00358953 _cell_length_b 7.00358953 _cell_length_c 7.00358953 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaPa2O4 _chemical_formula_sum 'Na2 Pa4 O8' _cell_volume 242.91093002 _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 0.00000000 0.00000000 0.00000000 1 Na Na1 1 2.47614283 2.47614283 2.47614283 1 O O2 1 3.85036621 3.85036621 3.85036621 1 O O3 1 3.85036621 6.05420509 6.05420509 1 O O4 1 6.05420509 3.85036621 6.05420509 1 O O5 1 6.32650903 6.32650903 8.53034792 1 O O6 1 6.05420509 6.05420509 3.85036621 1 O O7 1 6.32650903 8.53034792 6.32650903 1 O O8 1 8.53034792 8.53034792 8.53034792 1 O O9 1 8.53034792 6.32650903 6.32650903 1 Pa Pa10 1 3.71421424 3.71421424 6.19035706 1 Pa Pa11 1 3.71421424 6.19035706 3.71421424 1 Pa Pa12 1 6.19035706 3.71421424 3.71421424 1 Pa Pa13 1 6.19035706 6.19035706 6.19035706 1 [/CIF]
Na2O8Pa4
Fd-3m
227
cubic
m-3m
7,506.736187
false
[CIF] data_AlRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01551416 _cell_length_b 5.01551416 _cell_length_c 6.37421860 _cell_angle_alpha 101.28666362 _cell_angle_beta 101.28666362 _cell_angle_gamma 32.52898455 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlRu2 _chemical_formula_sum 'Al2 Ru4' _cell_volume 84.41122179 _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 8.26960859 -0.00000000 6.16214551 1 Al Al1 1 6.12314191 0.00000000 2.18291528 1 Ru Ru2 1 2.29865273 -0.00000000 4.18251491 1 Ru Ru3 1 3.48070380 -0.00000000 1.70932122 1 Ru Ru4 1 -0.30253708 0.00000000 3.76196290 1 Ru Ru5 1 5.64245081 0.00000000 5.92243375 1 [/CIF]
Al2Ru4
Cm
8
monoclinic
m
9,014.566021
false
[CIF] data_In2GaPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.33415641 _cell_length_b 5.23543651 _cell_length_c 6.29435872 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.58734856 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2GaPb _chemical_formula_sum 'In2 Ga1 Pb1' _cell_volume 108.00236003 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.09904195 0.00000000 4.67372729 1 In In1 1 -1.08430493 2.61771826 6.14388220 1 In In2 1 2.26034594 0.00000000 1.49645008 1 Pb Pb3 1 1.03301147 2.61771826 3.15394849 1 [/CIF]
GaIn2Pb
Pm
6
monoclinic
m
7,788.357669
false
[CIF] data_AlSiPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97974897 _cell_length_b 4.56318675 _cell_length_c 4.32845202 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlSiPd2 _chemical_formula_sum 'Al1 Si1 Pd2' _cell_volume 58.85461575 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.15690441 1 Pd Pd1 1 0.00000000 2.28159337 0.00704785 1 Pd Pd2 1 1.48987448 0.00000000 3.23612534 1 Si Si3 1 1.48987448 2.28159337 2.09260048 1 [/CIF]
AlPd2Si
Pmm2
25
orthorhombic
mm2
7,558.809609
false
[CIF] data_MnFe2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03719527 _cell_length_b 4.03719527 _cell_length_c 2.83897058 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnFe2Ni _chemical_formula_sum 'Mn1 Fe2 Ni1' _cell_volume 46.27222718 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.01859763 0.00000000 1.41948529 1 Fe Fe1 1 0.00000000 2.01859763 1.41948529 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Ni Ni3 1 2.01859763 2.01859763 0.00000000 1 [/CIF]
Fe2MnNi
P4/mmm
123
tetragonal
4/mmm
8,085.953168
false
[CIF] data_NaMnHgMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56760557 _cell_length_b 4.56760557 _cell_length_c 4.56760557 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMnHgMo _chemical_formula_sum 'Na1 Mn1 Hg1 Mo1' _cell_volume 67.38306832 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 1.61489244 1.61489244 1.61489244 1 Mn Mn1 1 4.84467731 4.84467731 4.84467731 1 Mo Mo2 1 3.22978487 3.22978487 3.22978487 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgMnMoNa
F-43m
216
cubic
-43m
9,228.357445
false
[CIF] data_Na2TaP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75979598 _cell_length_b 2.75979598 _cell_length_c 10.39076349 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 103.03991363 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2TaP _chemical_formula_sum 'Na2 Ta1 P1' _cell_volume 77.10017972 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.71726099 0.00000000 8.10174895 1 Na Na1 1 1.71726099 0.00000000 2.28901454 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 0.00000000 0.00000000 5.19538174 1 [/CIF]
Na2PTa
Cmmm
65
orthorhombic
mmm
5,554.526425
false
[CIF] data_W2BrCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90283645 _cell_length_b 2.90283645 _cell_length_c 8.05651334 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural W2BrCl _chemical_formula_sum 'W2 Br1 Cl1' _cell_volume 67.88788301 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.02825667 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 1.45141823 1.45141823 1.95158602 1 W W3 1 1.45141823 1.45141823 6.10492732 1 [/CIF]
BrClW2
P4/mmm
123
tetragonal
4/mmm
11,815.095324
false
[CIF] data_YTaInCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91964132 _cell_length_b 4.91964132 _cell_length_c 4.91964132 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTaInCu _chemical_formula_sum 'Y1 Ta1 In1 Cu1' _cell_volume 84.19481059 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 5.21806761 5.21806761 5.21806761 1 Ta Ta2 1 3.47871174 3.47871174 3.47871174 1 Y Y3 1 1.73935587 1.73935587 1.73935587 1 [/CIF]
CuInTaY
F-43m
216
cubic
-43m
8,840.010992
false
[CIF] data_ZnNi2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.63283576 _cell_length_b 2.63283576 _cell_length_c 7.37037321 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnNi2Mo _chemical_formula_sum 'Zn1 Ni2 Mo1' _cell_volume 51.09013093 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.31641788 1.31641788 5.63583496 1 Ni Ni1 1 0.00000000 0.00000000 0.13130416 1 Ni Ni2 1 1.31641788 1.31641788 1.78773245 1 Zn Zn3 1 0.00000000 0.00000000 3.50068825 1 [/CIF]
MoNi2Zn
P4mm
99
tetragonal
4mm
9,059.220086
false
[CIF] data_LaCrMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88279524 _cell_length_b 2.88279524 _cell_length_c 9.37111807 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.61190169 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCrMo2 _chemical_formula_sum 'La1 Cr1 Mo2' _cell_volume 71.89224443 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.01738930 1 La La1 1 1.59925377 -0.00000000 2.44781663 1 Mo Mo2 1 0.00000000 0.00000000 9.05057176 1 Mo Mo3 1 1.59925377 -0.00000000 6.91201758 1 [/CIF]
CrLaMo2
Cmm2
35
orthorhombic
mm2
8,842.263551
false
[CIF] data_TiAl2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76453064 _cell_length_b 4.76453064 _cell_length_c 5.01614082 _cell_angle_alpha 103.16236185 _cell_angle_beta 103.16236185 _cell_angle_gamma 34.84620046 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAl2Pt _chemical_formula_sum 'Ti1 Al2 Pt1' _cell_volume 63.18250687 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.30308784 -0.00000000 3.60412755 1 Al Al1 1 6.59161935 -0.00000000 1.26706143 1 Pt Pt2 1 3.94735359 -0.00000000 2.43559449 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2PtTi
C2/m
12
monoclinic
2/m
7,803.384972
false
[CIF] data_KNiSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.62297140 _cell_length_b 6.62297140 _cell_length_c 6.62297140 _cell_angle_alpha 148.92470779 _cell_angle_beta 148.92470779 _cell_angle_gamma 44.52214423 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNiSb _chemical_formula_sum 'K1 Ni1 Sb1' _cell_volume 77.16718159 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 -0.00000000 0.02034415 1 Ni Ni1 1 0.00000000 -0.00000000 3.41152888 1 Sb Sb2 1 0.00000000 -0.00000000 8.82681409 1 [/CIF]
KNiSb
I4mm
107
tetragonal
4mm
4,724.473404
false
[CIF] data_ZnCu2H4(SO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91272200 _cell_length_b 7.91501700 _cell_length_c 9.76551007 _cell_angle_alpha 90.00000000 _cell_angle_beta 124.40685530 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCu2H4(SO4)2 _chemical_formula_sum 'Zn2 Cu4 H8 S4 O16' _cell_volume 377.06164020 _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 Zn Zn0 1 -2.75907750 3.95750850 4.02849700 1 Zn Zn1 1 0.00000000 0.00000000 0.00000000 1 Cu Cu2 1 4.49979960 4.99087729 0.39914348 1 Cu Cu3 1 1.74072210 6.88164821 4.42764048 1 Cu Cu4 1 -4.10523260 2.92413971 7.65785052 1 Cu Cu5 1 -1.34615510 1.03336879 3.62935352 1 H H6 1 -1.11529566 4.06792299 6.14122614 1 H H7 1 1.64378184 7.80460251 2.11272914 1 H H8 1 1.50986266 3.84709401 1.91576786 1 H H9 1 -1.24921484 0.11041449 5.94426486 1 H H10 1 -0.51547106 4.86570130 4.86931684 1 H H11 1 2.24360644 7.00682420 0.84081984 1 H H12 1 0.91003806 3.04931570 3.18767716 1 H H13 1 -1.84903944 0.90819280 7.21617416 1 S S14 1 -1.28106592 6.91314206 2.98622814 1 S S15 1 -4.04014342 4.95938344 7.01472514 1 S S16 1 1.67563292 1.00187494 5.07076586 1 S S17 1 4.43471042 2.95563356 1.04226886 1 O O18 1 4.69591824 6.81801147 1.44435314 1 O O19 1 1.93684074 5.05451403 5.47285014 1 O O20 1 -4.30135124 1.09700553 6.61264086 1 O O21 1 -1.54227374 2.86050297 2.58414386 1 O O22 1 3.38769128 6.05825691 3.34387005 1 O O23 1 0.62861378 5.81426859 7.37236705 1 O O24 1 -2.99312428 1.85676009 4.71312395 1 O O25 1 -0.23404678 2.10074841 0.68462695 1 O O26 1 -0.09413767 6.16259266 3.54963762 1 O O27 1 -2.85321517 5.70993284 7.57813462 1 O O28 1 0.48870467 1.75242434 4.50735638 1 O O29 1 3.24778217 2.20508416 0.47885938 1 O O30 1 -1.07888178 4.10531353 5.16489572 1 O O31 1 1.68019572 7.76721197 1.13639872 1 O O32 1 1.47344878 3.80970347 2.89209828 1 O O33 1 -1.28562872 0.14780503 6.92059528 1 [/CIF]
Cu4H8O16S4Zn2
P2_1/c
14
monoclinic
2/m
3,422.960607
false
[CIF] data_CoSn2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.78168532 _cell_length_b 3.78168532 _cell_length_c 8.06487805 _cell_angle_alpha 102.45123598 _cell_angle_beta 102.45123598 _cell_angle_gamma 60.21149191 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoSn2Cl _chemical_formula_sum 'Co1 Sn2 Cl1' _cell_volume 96.93833150 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Co Co1 1 2.26653793 -0.00000000 3.90519333 1 Sn Sn2 1 0.08677144 -0.00000000 2.59805936 1 Sn Sn3 1 4.44630441 0.00000000 5.21232729 1 [/CIF]
ClCoSn2
C2/m
12
monoclinic
2/m
5,683.790311
false
[CIF] data_ThBePd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69610015 _cell_length_b 4.69610015 _cell_length_c 4.69610015 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ThBePd2 _chemical_formula_sum 'Th1 Be1 Pd2' _cell_volume 73.23135188 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 4.98096639 4.98096639 4.98096639 1 Pd Pd2 1 1.66032213 1.66032213 1.66032213 1 Th Th3 1 3.32064426 3.32064426 3.32064426 1 [/CIF]
BePd2Th
Fm-3m
225
cubic
m-3m
10,292.07381
false
[CIF] data_YZr2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34666487 _cell_length_b 3.34666487 _cell_length_c 8.14977244 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZr2Tc _chemical_formula_sum 'Y1 Zr2 Tc1' _cell_volume 91.27880217 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tc Tc0 1 0.00000000 0.00000000 4.07488622 1 Y Y1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 1.67333244 1.67333244 2.51572008 1 Zr Zr3 1 1.67333244 1.67333244 5.63405236 1 [/CIF]
TcYZr2
P4/mmm
123
tetragonal
4/mmm
6,735.750943
false
[CIF] data_ScTcIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32513356 _cell_length_b 4.32513356 _cell_length_c 4.32513356 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTcIr _chemical_formula_sum 'Sc1 Tc1 Ir1' _cell_volume 57.21153120 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.52916564 1.52916564 1.52916564 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 3.05833127 3.05833127 3.05833127 1 [/CIF]
IrScTc
F-43m
216
cubic
-43m
9,754.545688
false
[CIF] data_ZrTiF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72043163 _cell_length_b 5.72043163 _cell_length_c 5.72043163 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTiF6 _chemical_formula_sum 'Zr1 Ti1 F6' _cell_volume 132.36446272 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy F F0 1 4.04495600 6.08787223 4.04495600 1 F F1 1 6.08787223 4.04495600 4.04495600 1 F F2 1 4.04495600 4.04495600 2.00203977 1 F F3 1 2.00203977 4.04495600 4.04495600 1 F F4 1 4.04495600 2.00203977 4.04495600 1 F F5 1 4.04495600 4.04495600 6.08787223 1 Ti Ti6 1 0.00000000 0.00000000 0.00000000 1 Zr Zr7 1 4.04495600 4.04495600 4.04495600 1 [/CIF]
F6TiZr
Fm-3m
225
cubic
m-3m
3,174.957802
false
[CIF] data_Sc2RhBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85311750 _cell_length_b 3.85311750 _cell_length_c 7.28021102 _cell_angle_alpha 103.89025806 _cell_angle_beta 103.89025806 _cell_angle_gamma 58.72626665 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2RhBr _chemical_formula_sum 'Sc2 Rh1 Br1' _cell_volume 88.80685254 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 2.35543772 0.00000000 3.49928926 1 Sc Sc2 1 0.16215502 0.00000000 4.85141022 1 Sc Sc3 1 4.54872042 -0.00000000 2.14716830 1 [/CIF]
BrRhSc2
C2/m
12
monoclinic
2/m
5,099.430954
false
[CIF] data_LaMgB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60495422 _cell_length_b 4.60495422 _cell_length_c 6.71209701 _cell_angle_alpha 124.87685182 _cell_angle_beta 124.87685182 _cell_angle_gamma 39.94184277 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMgB2 _chemical_formula_sum 'La1 Mg1 B2' _cell_volume 72.52184700 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.33475682 0.00000000 0.21473343 1 B B1 1 -1.76231574 0.00000000 5.11219204 1 La La2 1 2.28622054 0.00000000 2.66346273 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B2LaMg
C2/m
12
monoclinic
2/m
4,232.125214
false
[CIF] data_NaPdBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62669499 _cell_length_b 4.62669499 _cell_length_c 4.62669499 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaPdBr _chemical_formula_sum 'Na1 Pd1 Br1' _cell_volume 70.03217452 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63578370 1.63578370 1.63578370 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 3.27156740 3.27156740 3.27156740 1 [/CIF]
BrNaPd
F-43m
216
cubic
-43m
4,963.057244
false
[CIF] data_AlB4Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.10679034 _cell_length_b 11.81676765 _cell_length_c 3.78867547 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlB4Pb _chemical_formula_sum 'Al4 B16 Pb4' _cell_volume 273.40037898 _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 Al Al0 1 0.83151327 6.96664284 1.89433774 1 Al Al1 1 5.27527707 4.85012481 1.89433774 1 Al Al2 1 2.22188190 1.05825902 1.89433774 1 Al Al3 1 3.88490844 10.75850863 1.89433774 1 B B4 1 1.75522400 8.08419296 0.00000000 1 B B5 1 4.35156634 3.73257469 0.00000000 1 B B6 1 1.29817117 2.17580914 0.00000000 1 B B7 1 4.80861917 9.64095851 0.00000000 1 B B8 1 2.21142933 6.27242346 0.00000000 1 B B9 1 3.89536101 5.54434419 0.00000000 1 B B10 1 0.84196584 0.36403963 0.00000000 1 B B11 1 5.26482450 11.45272802 0.00000000 1 B B12 1 2.37436185 11.26941403 0.00000000 1 B B13 1 3.73242849 0.54735362 0.00000000 1 B B14 1 0.67903332 5.36103020 0.00000000 1 B B15 1 5.42775702 6.45573745 0.00000000 1 B B16 1 2.91896609 9.55744953 0.00000000 1 B B17 1 3.18782425 2.25931812 0.00000000 1 B B18 1 0.13442908 3.64906571 0.00000000 1 B B19 1 5.97236126 8.16770194 0.00000000 1 Pb Pb20 1 0.76992831 10.04181470 1.89433774 1 Pb Pb21 1 5.33686203 1.77495295 1.89433774 1 Pb Pb22 1 2.28346686 4.13343088 1.89433774 1 Pb Pb23 1 3.82332348 7.68333677 1.89433774 1 [/CIF]
Al4B16Pb4
Pbam
55
orthorhombic
mmm
6,739.94596
false
[CIF] data_NaCaRuRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72857519 _cell_length_b 4.72857519 _cell_length_c 4.72857519 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCaRuRh _chemical_formula_sum 'Na1 Ca1 Ru1 Rh1' _cell_volume 74.76113722 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.01541137 5.01541137 5.01541137 1 Na Na1 1 -0.00000000 -0.00000000 -0.00000000 1 Rh Rh2 1 1.67180379 1.67180379 1.67180379 1 Ru Ru3 1 3.34360758 3.34360758 3.34360758 1 [/CIF]
CaNaRhRu
F-43m
216
cubic
-43m
5,931.36752
false
[CIF] data_Sr2ScNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.70483398 _cell_length_b 3.70483398 _cell_length_c 9.37593142 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.35660570 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2ScNi _chemical_formula_sum 'Sr2 Sc1 Ni1' _cell_volume 128.65603922 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 0.00000000 4.68796571 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 2.58851659 0.00000000 2.88794514 1 Sr Sr3 1 2.58851659 0.00000000 6.48798628 1 [/CIF]
NiScSr2
Cmmm
65
orthorhombic
mmm
3,599.571389
false
[CIF] data_BaTe2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46005727 _cell_length_b 6.42557892 _cell_length_c 4.47814248 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTe2Cl _chemical_formula_sum 'Ba1 Te2 Cl1' _cell_volume 128.33662245 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.23002864 0.00000000 2.83710585 1 Cl Cl1 1 0.00000000 0.00000000 0.58613476 1 Te Te2 1 2.23002864 3.21278946 0.52779853 1 Te Te3 1 0.00000000 3.21278946 2.76617459 1 [/CIF]
BaClTe2
Pmm2
25
orthorhombic
mm2
5,537.609665
false
[CIF] data_TaCo2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19663125 _cell_length_b 3.19663125 _cell_length_c 5.55119646 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCo2Se _chemical_formula_sum 'Ta1 Co2 Se1' _cell_volume 56.72463095 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.08518589 1 Co Co1 1 1.59831563 1.59831563 1.34915013 1 Se Se2 1 0.00000000 0.00000000 2.46428685 1 Ta Ta3 1 1.59831563 1.59831563 4.42817182 1 [/CIF]
Co2SeTa
P4mm
99
tetragonal
4mm
11,058.873425
false
[CIF] data_SiAgSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.89863179 _cell_length_b 5.89863179 _cell_length_c 5.89863179 _cell_angle_alpha 138.26611369 _cell_angle_beta 138.26611369 _cell_angle_gamma 60.49567670 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiAgSn2 _chemical_formula_sum 'Si1 Ag1 Sn2' _cell_volume 89.97870280 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 2.10108645 2.54777984 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 2.10108645 0.00000000 2.54777984 1 Sn Sn3 1 0.00000000 -0.00000000 5.09555968 1 [/CIF]
AgSiSn2
I-4m2
119
tetragonal
-42m
6,890.537382
false
[CIF] data_NbVIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25454681 _cell_length_b 4.25454681 _cell_length_c 4.25454681 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbVIr _chemical_formula_sum 'Nb1 V1 Ir1' _cell_volume 54.45589760 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.00841890 3.00841890 3.00841890 1 Nb Nb1 1 4.51262835 4.51262835 4.51262835 1 V V2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrNbV
F-43m
216
cubic
-43m
10,247.721308
false
[CIF] data_V2SnIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34059456 _cell_length_b 4.34059456 _cell_length_c 3.21928317 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2SnIr _chemical_formula_sum 'V2 Sn1 Ir1' _cell_volume 60.65374523 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.17029728 2.17029728 0.00000000 1 Sn Sn1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 0.00000000 2.17029728 1.60964159 1 V V3 1 2.17029728 0.00000000 1.60964159 1 [/CIF]
IrSnV2
P4/mmm
123
tetragonal
4/mmm
11,301.645587
false
[CIF] data_YNb2Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.76074973 _cell_length_b 3.76074973 _cell_length_c 6.49430502 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YNb2Cd _chemical_formula_sum 'Y1 Nb2 Cd1' _cell_volume 91.85050500 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.24715251 1 Nb Nb1 1 1.88037487 1.88037487 4.41335409 1 Nb Nb2 1 1.88037487 1.88037487 2.08095093 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdNb2Y
P4/mmm
123
tetragonal
4/mmm
6,998.805736
false
[CIF] data_LiV2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.49850096 _cell_length_b 2.49850096 _cell_length_c 8.60521567 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiV2Cu _chemical_formula_sum 'Li1 V2 Cu1' _cell_volume 53.71811946 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.24925048 1.24925048 4.25305444 1 Li Li1 1 0.00000000 0.00000000 6.28938881 1 V V2 1 1.24925048 1.24925048 0.14343406 1 V V3 1 0.00000000 0.00000000 2.22194611 1 [/CIF]
CuLiV2
P4mm
99
tetragonal
4mm
5,328.316065
false
[CIF] data_MnPPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.77415923 _cell_length_b 2.77415923 _cell_length_c 7.21483885 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnPPd2 _chemical_formula_sum 'Mn1 P1 Pd2' _cell_volume 55.52510711 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 0.00000000 0.00000000 3.60741943 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 1.38707961 1.38707961 1.81043192 1 Pd Pd3 1 1.38707961 1.38707961 5.40440693 1 [/CIF]
MnPPd2
P4/mmm
123
tetragonal
4/mmm
8,934.499591
false
[CIF] data_RePtRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76199346 _cell_length_b 4.76199346 _cell_length_c 4.77734309 _cell_angle_alpha 99.29411540 _cell_angle_beta 99.29411540 _cell_angle_gamma 33.30918945 _symmetry_Int_Tables_number 1 _chemical_formula_structural RePtRh2 _chemical_formula_sum 'Re1 Pt1 Rh2' _cell_volume 58.64086044 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.15955914 -0.00000000 2.35448720 1 Re Re1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 1.70578220 -0.00000000 3.57708326 1 Rh Rh3 1 6.61333608 -0.00000000 1.13189114 1 [/CIF]
PtReRh2
C2/m
12
monoclinic
2/m
16,625.025619
false
[CIF] data_Na2YAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99880554 _cell_length_b 3.99880554 _cell_length_c 6.47227645 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2YAu _chemical_formula_sum 'Na2 Y1 Au1' _cell_volume 103.49458543 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.23613822 1 Na Na1 1 1.99940277 1.99940277 4.54848806 1 Na Na2 1 1.99940277 1.99940277 1.92378839 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuNa2Y
P4/mmm
123
tetragonal
4/mmm
5,324.463474
false
[CIF] data_TaSi2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34115320 _cell_length_b 4.34115320 _cell_length_c 4.34115320 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaSi2Tc _chemical_formula_sum 'Ta1 Si2 Tc1' _cell_volume 57.84959711 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.60448830 4.60448830 4.60448830 1 Si Si1 1 1.53482943 1.53482943 1.53482943 1 Ta Ta2 1 3.06965886 3.06965886 3.06965886 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Si2TaTc
Fm-3m
225
cubic
m-3m
9,645.404646
false
[CIF] data_ScCr2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09965993 _cell_length_b 3.09965993 _cell_length_c 6.43993249 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCr2W _chemical_formula_sum 'Sc1 Cr2 W1' _cell_volume 61.87417380 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.54982997 1.54982997 4.62442130 1 Cr Cr1 1 1.54982997 1.54982997 1.81551119 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 0.00000000 0.00000000 3.21996625 1 [/CIF]
Cr2ScW
P4/mmm
123
tetragonal
4/mmm
8,931.152158
false
[CIF] data_Re2NiC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14146562 _cell_length_b 4.14146562 _cell_length_c 4.14146562 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2NiC _chemical_formula_sum 'Re2 Ni1 C1' _cell_volume 50.22815012 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 4.39268764 4.39268764 4.39268764 1 Re Re2 1 2.92845842 2.92845842 2.92845842 1 Ni Ni3 1 1.46422921 1.46422921 1.46422921 1 [/CIF]
CNiRe2
F-43m
216
cubic
-43m
14,649.452836
false
[CIF] data_LiCo2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16912311 _cell_length_b 4.16912311 _cell_length_c 4.16912311 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCo2Te _chemical_formula_sum 'Li1 Co2 Te1' _cell_volume 51.24118442 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.42202283 4.42202283 4.42202283 1 Co Co1 1 1.47400761 1.47400761 1.47400761 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 2.94801522 2.94801522 2.94801522 1 [/CIF]
Co2LiTe
Fm-3m
225
cubic
m-3m
8,179.598823
false
[CIF] data_ZnTc2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33873753 _cell_length_b 4.33873753 _cell_length_c 4.33873753 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnTc2Os _chemical_formula_sum 'Zn1 Tc2 Os1' _cell_volume 57.75307835 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.60192610 4.60192610 4.60192610 1 Tc Tc1 1 1.53397537 1.53397537 1.53397537 1 Tc Tc2 1 3.06795073 3.06795073 3.06795073 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
OsTc2Zn
F-43m
216
cubic
-43m
13,036.977948
false
[CIF] data_SnHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36305327 _cell_length_b 3.36305327 _cell_length_c 5.23785730 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 115.41815686 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnHg _chemical_formula_sum 'Sn1 Hg1' _cell_volume 53.50627999 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 1.79660498 0.00000000 2.61892865 1 Sn Sn1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgSn
Cmmm
65
orthorhombic
mmm
9,909.306423
false
[CIF] data_BaHfTlRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26097694 _cell_length_b 5.26097694 _cell_length_c 5.26097694 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaHfTlRh _chemical_formula_sum 'Ba1 Hf1 Tl1 Rh1' _cell_volume 102.96371333 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.58010871 5.58010871 5.58010871 1 Hf Hf1 1 1.86003624 1.86003624 1.86003624 1 Rh Rh2 1 0.00000000 -0.00000000 0.00000000 1 Tl Tl3 1 3.72007247 3.72007247 3.72007247 1 [/CIF]
BaHfRhTl
F-43m
216
cubic
-43m
10,049.089044
false
[CIF] data_NaCo2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13843196 _cell_length_b 4.13843196 _cell_length_c 2.83418224 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCo2Si _chemical_formula_sum 'Na1 Co2 Si1' _cell_volume 48.53995965 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.06921598 0.00000000 1.41709112 1 Co Co1 1 0.00000000 2.06921598 1.41709112 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Si Si3 1 2.06921598 2.06921598 0.00000000 1 [/CIF]
Co2NaSi
P4/mmm
123
tetragonal
4/mmm
5,779.449082
false
[CIF] data_YV2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45195364 _cell_length_b 5.45195364 _cell_length_c 5.45195364 _cell_angle_alpha 134.47987804 _cell_angle_beta 134.47987804 _cell_angle_gamma 66.33943467 _symmetry_Int_Tables_number 1 _chemical_formula_structural YV2Pb _chemical_formula_sum 'Y1 V2 Pb1' _cell_volume 81.20940388 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 4.56357743 1 V V1 1 0.00000000 2.10921307 2.28178872 1 V V2 1 2.10921307 -0.00000000 2.28178872 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PbV2Y
I4/mmm
139
tetragonal
4/mmm
8,137.924943
false
[CIF] data_Ge2IrPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04399123 _cell_length_b 3.04399123 _cell_length_c 6.72535959 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ge2IrPd _chemical_formula_sum 'Ge2 Ir1 Pd1' _cell_volume 62.31639246 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 1.52199562 1.52199562 1.73825843 1 Ge Ge1 1 1.52199562 1.52199562 4.98710116 1 Ir Ir2 1 0.00000000 0.00000000 3.36267980 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ge2IrPd
P4/mmm
123
tetragonal
4/mmm
11,829.014674
false
[CIF] data_Ba2GaIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93284529 _cell_length_b 3.93284529 _cell_length_c 7.95863370 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2GaIr _chemical_formula_sum 'Ba2 Ga1 Ir1' _cell_volume 123.09835278 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.96642265 1.96642265 5.74255342 1 Ba Ba1 1 1.96642265 1.96642265 2.21608028 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 Ir Ir3 1 0.00000000 0.00000000 3.97931685 1 [/CIF]
Ba2GaIr
P4/mmm
123
tetragonal
4/mmm
7,238.401488
false
[CIF] data_NbCdAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07105609 _cell_length_b 5.07105609 _cell_length_c 5.48038462 _cell_angle_alpha 97.53647792 _cell_angle_beta 97.53647792 _cell_angle_gamma 32.17337217 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCdAg2 _chemical_formula_sum 'Nb1 Cd1 Ag2' _cell_volume 74.34115915 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.73596842 -0.00000000 0.04085665 1 Ag Ag1 1 1.87660470 0.00000000 4.05379475 1 Cd Cd2 1 4.49420870 -0.00000000 2.76291311 1 Nb Nb3 1 7.13354848 0.00000000 1.28606571 1 [/CIF]
Ag2CdNb
Cm
8
monoclinic
m
9,404.968376
false
[CIF] data_Sc2GaMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93978677 _cell_length_b 2.93978677 _cell_length_c 8.82985030 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2GaMo _chemical_formula_sum 'Sc2 Ga1 Mo1' _cell_volume 76.31062377 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.55523447 1 Mo Mo1 1 1.46989339 1.46989339 6.40532696 1 Sc Sc2 1 0.00000000 0.00000000 8.59695355 1 Sc Sc3 1 1.46989339 1.46989339 2.51711077 1 [/CIF]
GaMoSc2
P4mm
99
tetragonal
4mm
5,562.204638
false
[CIF] data_TaReBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90490374 _cell_length_b 4.90490374 _cell_length_c 3.44314525 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaReBi2 _chemical_formula_sum 'Ta1 Re1 Bi2' _cell_volume 82.83546628 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.45245187 1.72157263 1 Bi Bi1 1 2.45245187 0.00000000 1.72157263 1 Re Re2 1 2.45245187 2.45245187 0.00000000 1 Ta Ta3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi2ReTa
P4/mmm
123
tetragonal
4/mmm
15,738.695535
false
[CIF] data_Sr2LiSc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.04180620 _cell_length_b 6.04180620 _cell_length_c 4.01414775 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2LiSc _chemical_formula_sum 'Sr2 Li1 Sc1' _cell_volume 146.53012992 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00000000 0.00000000 0.00000000 1 Sc Sc1 1 3.02090310 3.02090310 0.00000000 1 Sr Sr2 1 3.02090310 0.00000000 2.00707388 1 Sr Sr3 1 0.00000000 3.02090310 2.00707388 1 [/CIF]
LiScSr2
P4/mmm
123
tetragonal
4/mmm
2,574.007926
false
[CIF] data_InSe4Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.87819321 _cell_length_b 5.87819321 _cell_length_c 5.87819321 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InSe4Br _chemical_formula_sum 'In1 Se4 Br1' _cell_volume 143.62054569 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 2.07825514 2.07825514 2.07825514 1 Se Se2 1 3.11607934 3.11607934 5.19694122 1 Se Se3 1 3.11607934 5.19694122 3.11607934 1 Se Se4 1 5.19694122 3.11607934 3.11607934 1 Se Se5 1 5.19694122 5.19694122 5.19694122 1 [/CIF]
BrInSe4
F-43m
216
cubic
-43m
5,903.111862
false
[CIF] data_Be2IrW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.08966593 _cell_length_b 4.08966593 _cell_length_c 2.78288975 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2IrW _chemical_formula_sum 'Be2 Ir1 W1' _cell_volume 46.54485359 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.04483297 1.39144488 1 Be Be1 1 2.04483297 0.00000000 1.39144488 1 Ir Ir2 1 2.04483297 2.04483297 0.00000000 1 W W3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be2IrW
P4/mmm
123
tetragonal
4/mmm
14,059.288713
false
[CIF] data_V2NiPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.64866617 _cell_length_b 2.64866617 _cell_length_c 7.53538303 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2NiPt _chemical_formula_sum 'V2 Ni1 Pt1' _cell_volume 52.86397086 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 0.00000000 0.00000000 1 Pt Pt1 1 0.00000000 0.00000000 3.76769152 1 V V2 1 1.32433308 1.32433308 5.75213886 1 V V3 1 1.32433308 1.32433308 1.78324417 1 [/CIF]
NiPtV2
P4/mmm
123
tetragonal
4/mmm
11,171.843111
false