Datasets:
n0w0f
/
nomad-structure-csv

Dataset card Data Studio Files
xet
Community
1
cif
stringlengths
674
4.09k
formula
stringlengths
1
20
spacegroup
stringlengths
2
10
spacegroup_number
int64
1
230
crystal_system
stringclasses
7 values
pointgroup
stringlengths
1
5
density
float64
91.6
41.4k
is_longer_than_allowed
bool
2 classes
[CIF] data_LiMnIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15947976 _cell_length_b 4.78352657 _cell_length_c 4.92430820 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMnIn2 _chemical_formula_sum 'Li1 Mn1 In2' _cell_volume 74.42331229 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57973988 0.00000000 0.43588425 1 In In1 1 1.57973988 2.39176329 3.27817987 1 Li Li2 1 0.00000000 0.00000000 2.80729876 1 Mn Mn3 1 0.00000000 2.39176329 0.86509941 1 [/CIF]
In2LiMn
Pmm2
25
orthorhombic
mm2
6,504.646293
false
[CIF] data_HfZr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55771647 _cell_length_b 3.55771647 _cell_length_c 10.67195178 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZr _chemical_formula_sum 'Hf3 Zr3' _cell_volume 135.07859131 _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 7.11227477 1 Hf Hf1 1 1.77885824 1.77885824 5.33597589 1 Hf Hf2 1 0.00000000 0.00000000 3.55967701 1 Zr Zr3 1 1.77885824 1.77885824 1.77989651 1 Zr Zr4 1 0.00000000 0.00000000 0.00000000 1 Zr Zr5 1 1.77885824 1.77885824 8.89205527 1 [/CIF]
Hf3Zr3
P4/mmm
123
tetragonal
4/mmm
9,946.890091
false
[CIF] data_ZnCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91348970 _cell_length_b 2.91348970 _cell_length_c 2.91348970 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCu _chemical_formula_sum 'Zn1 Cu1' _cell_volume 24.73093074 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Zn Zn1 1 1.45674485 1.45674485 1.45674485 1 [/CIF]
CuZn
Pm-3m
221
cubic
m-3m
8,656.63577
false
[CIF] data_CoSnHgOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61710788 _cell_length_b 4.61710788 _cell_length_c 4.61710788 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoSnHgOs _chemical_formula_sum 'Co1 Sn1 Hg1 Os1' _cell_volume 69.59772887 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 3.26478829 3.26478829 3.26478829 1 Os Os2 1 4.89718243 4.89718244 4.89718244 1 Sn Sn3 1 1.63239414 1.63239414 1.63239415 1 [/CIF]
CoHgOsSn
F-43m
216
cubic
-43m
13,563.019348
false
[CIF] data_AlNiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07801258 _cell_length_b 4.07801258 _cell_length_c 4.07801258 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlNiIr _chemical_formula_sum 'Al1 Ni1 Ir1' _cell_volume 47.95464564 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Ir Ir1 1 4.32538552 4.32538552 4.32538552 1 Ni Ni2 1 2.88359035 2.88359035 2.88359035 1 [/CIF]
AlIrNi
F-43m
216
cubic
-43m
9,622.642691
false
[CIF] data_Eu(CdAs)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46300212 _cell_length_b 4.46300212 _cell_length_c 7.26147843 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Eu(CdAs)2 _chemical_formula_sum 'Eu1 Cd2 As2' _cell_volume 125.25926786 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.57671547 1.73832895 1 As As1 1 2.23150106 1.28835774 5.52314948 1 Cd Cd2 1 2.23150106 1.28835774 2.64788366 1 Cd Cd3 1 -0.00000000 2.57671547 4.61359477 1 Eu Eu4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2Cd2Eu
P-3m1
164
trigonal
-3m
6,981.418985
false
[CIF] data_In4AsRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.86697790 _cell_length_b 5.86697790 _cell_length_c 5.86697790 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In4AsRh _chemical_formula_sum 'In4 As1 Rh1' _cell_volume 142.80005005 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 5.18395875 5.18395875 3.11320097 1 In In2 1 5.18395875 3.11320097 5.18395875 1 In In3 1 3.11320097 5.18395875 5.18395875 1 In In4 1 3.11320097 3.11320097 3.11320097 1 Rh Rh5 1 6.22286979 6.22286979 6.22286979 1 [/CIF]
AsIn4Rh
F-43m
216
cubic
-43m
7,408.456401
false
[CIF] data_HgTeMo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89617597 _cell_length_b 4.89617597 _cell_length_c 4.89617597 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgTeMo3 _chemical_formula_sum 'Hg1 Te1 Mo3' _cell_volume 117.37377002 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.44808799 0.00000000 1 Mo Mo1 1 0.00000000 0.00000000 2.44808799 1 Mo Mo2 1 2.44808799 0.00000000 0.00000000 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 Hg Hg4 1 2.44808799 2.44808799 2.44808799 1 [/CIF]
HgMo3Te
Pm-3m
221
cubic
m-3m
8,715.817022
false
[CIF] data_MgV2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.70098512 _cell_length_b 4.23577267 _cell_length_c 5.30318286 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.26545536 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgV2Pt _chemical_formula_sum 'Mg1 V2 Pt1' _cell_volume 59.70123265 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.88277858 0.00000000 2.60787017 1 Pt Pt1 1 -0.10751693 2.11788634 3.93601806 1 V V2 1 2.63137871 0.00000000 0.03026401 1 V V3 1 1.92821022 2.11788634 1.25328730 1 [/CIF]
MgPtV2
Pm
6
monoclinic
m
8,935.907741
false
[CIF] data_TiP2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25947169 _cell_length_b 4.25947169 _cell_length_c 2.95123920 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiP2Ru _chemical_formula_sum 'Ti1 P2 Ru1' _cell_volume 53.54462521 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.12973584 1.47561960 1 P P1 1 2.12973584 0.00000000 1.47561960 1 Ru Ru2 1 2.12973584 2.12973584 0.00000000 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
P2RuTi
P4/mmm
123
tetragonal
4/mmm
6,540.002648
false
[CIF] data_TlBi2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36887392 _cell_length_b 5.36887392 _cell_length_c 3.60540236 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 104.88811288 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlBi2Rh _chemical_formula_sum 'Tl1 Bi2 Rh1' _cell_volume 100.43620284 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63626034 -2.12811040 1.80270118 1 Bi Bi1 1 1.63626034 2.12811040 1.80270118 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 3.27252069 0.00000000 0.00000000 1 [/CIF]
Bi2RhTl
Cmmm
65
orthorhombic
mmm
11,990.748951
false
[CIF] data_KNi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.59988439 _cell_length_b 3.95022224 _cell_length_c 6.83079209 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.04373572 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNi3 _chemical_formula_sum 'K1 Ni3' _cell_volume 69.46286448 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 0.00932309 1.97511112 4.40057044 1 Ni Ni2 1 0.82202936 0.00000000 3.38179383 1 Ni Ni3 1 1.63473564 1.97511112 2.36301721 1 [/CIF]
KNi3
P2/m
10
monoclinic
2/m
5,143.932779
false
[CIF] data_Na2NiTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80770261 _cell_length_b 4.80770261 _cell_length_c 4.80770261 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2NiTe _chemical_formula_sum 'Na2 Ni1 Te1' _cell_volume 78.57742453 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.09933868 5.09933868 5.09933868 1 Ni Ni2 1 3.39955912 3.39955912 3.39955912 1 Te Te3 1 1.69977956 1.69977956 1.69977956 1 [/CIF]
Na2NiTe
F-43m
216
cubic
-43m
4,908.51273
false
[CIF] data_K2LiY _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87919535 _cell_length_b 3.87919535 _cell_length_c 11.70745246 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2LiY _chemical_formula_sum 'K2 Li1 Y1' _cell_volume 176.17557758 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.27135629 1 K K1 1 1.93959767 1.93959767 3.72422691 1 Li Li2 1 0.00000000 0.00000000 6.24854578 1 Y Y3 1 1.93959767 1.93959767 8.02450205 1 [/CIF]
K2LiY
P4mm
99
tetragonal
4mm
1,640.442745
false
[CIF] data_MgW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82659959 _cell_length_b 4.82659959 _cell_length_c 4.82659959 _cell_angle_alpha 148.03705791 _cell_angle_beta 120.06126052 _cell_angle_gamma 69.55449563 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgW2 _chemical_formula_sum 'Mg1 W2' _cell_volume 50.80907581 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 0.00000000 0.00000000 1 W W1 1 1.32889067 -0.00000000 2.59787295 1 W W2 1 0.00000000 2.41106485 1.36657903 1 [/CIF]
Mg2W4
Immm
71
orthorhombic
mmm
12,810.829475
false
[CIF] data_KBaLiIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.16778847 _cell_length_b 6.16778847 _cell_length_c 6.16778847 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBaLiIn _chemical_formula_sum 'K1 Ba1 Li1 In1' _cell_volume 165.91032492 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.54192758 6.54192758 6.54192758 1 In In1 1 4.36128505 4.36128505 4.36128505 1 K K2 1 2.18064253 2.18064253 2.18064253 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaInKLi
F-43m
216
cubic
-43m
2,984.42354
false
[CIF] data_MnGa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24470226 _cell_length_b 4.24470226 _cell_length_c 2.62665331 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnGa2 _chemical_formula_sum 'Mn1 Ga2' _cell_volume 40.98527481 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.45067999 0.98396771 1 Ga Ga1 1 2.12235113 1.22534000 1.64268560 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ga2Mn
P-3m1
164
trigonal
-3m
7,875.56756
false
[CIF] data_LaTlCuIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92019305 _cell_length_b 4.92019305 _cell_length_c 4.92019305 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTlCuIr _chemical_formula_sum 'La1 Tl1 Cu1 Ir1' _cell_volume 84.22314056 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 5.21865281 5.21865281 5.21865281 1 La La2 1 1.73955094 1.73955094 1.73955094 1 Tl Tl3 1 3.47910187 3.47910187 3.47910187 1 [/CIF]
CuIrLaTl
F-43m
216
cubic
-43m
11,810.873596
false
[CIF] data_Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.72838359 _cell_length_b 2.72838359 _cell_length_c 2.72838359 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Os _chemical_formula_sum Os1 _cell_volume 14.36154910 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 0.00000000 1 [/CIF]
Os
Fm-3m
225
cubic
m-3m
21,995.161755
false
[CIF] data_YZrCdRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85049680 _cell_length_b 4.85049680 _cell_length_c 4.85049680 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZrCdRu _chemical_formula_sum 'Y1 Zr1 Cd1 Ru1' _cell_volume 80.69445070 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.14472877 5.14472877 5.14472877 1 Ru Ru1 1 3.42981918 3.42981918 3.42981918 1 Y Y2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 1.71490959 1.71490959 1.71490959 1 [/CIF]
CdRuYZr
F-43m
216
cubic
-43m
8,099.766314
false
[CIF] data_K2FeSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07226031 _cell_length_b 5.07226031 _cell_length_c 5.07226031 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2FeSi _chemical_formula_sum 'K2 Fe1 Si1' _cell_volume 92.27617893 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.79331483 1.79331483 1.79331483 1 K K1 1 5.37994449 5.37994449 5.37994449 1 K K2 1 3.58662966 3.58662966 3.58662966 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FeK2Si
F-43m
216
cubic
-43m
2,917.528515
false
[CIF] data_Co4As5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.43974694 _cell_length_b 7.43974694 _cell_length_c 5.23408501 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co4As5 _chemical_formula_sum 'Co8 As10' _cell_volume 250.89252986 _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 2.67751608 4.63759389 3.92556376 1 As As1 1 2.08471478 0.00000000 3.92556376 1 As As2 1 -1.04235739 1.80541596 3.92556376 1 As As3 1 1.04235739 1.80541596 1.30852125 1 As As4 1 5.35503216 0.00000000 1.30852125 1 As As5 1 -2.67751608 4.63759389 1.30852125 1 As As6 1 0.00000000 4.29533990 2.61704251 1 As As7 1 3.71987347 2.14766995 0.00000000 1 As As8 1 3.71987347 2.14766995 2.61704251 1 As As9 1 -0.00000000 4.29533990 0.00000000 1 Co Co10 1 0.00000000 0.00000000 2.61704251 1 Co Co11 1 0.00000000 0.00000000 0.00000000 1 Co Co12 1 1.39788154 2.42120185 3.92556376 1 Co Co13 1 4.64398386 0.00000000 3.92556376 1 Co Co14 1 -2.32199193 4.02180799 3.92556376 1 Co Co15 1 2.32199193 4.02180799 1.30852125 1 Co Co16 1 2.79576309 0.00000000 1.30852125 1 Co Co17 1 -1.39788154 2.42120185 1.30852125 1 [/CIF]
As10Co8
P6_3/mcm
193
hexagonal
6/mmm
8,079.11427
false
[CIF] data_CrCd4P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66868152 _cell_length_b 5.66868152 _cell_length_c 5.66868152 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrCd4P _chemical_formula_sum 'Cr1 Cd4 P1' _cell_volume 128.80454122 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.00951148 5.00951148 3.00721480 1 Cd Cd1 1 5.00951148 3.00721480 5.00951148 1 Cd Cd2 1 3.00721480 5.00951148 5.00951148 1 Cd Cd3 1 3.00721480 3.00721480 3.00721480 1 Cr Cr4 1 6.01254471 6.01254471 6.01254471 1 P P5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cd4CrP
F-43m
216
cubic
-43m
6,866.420368
false
[CIF] data_CrReW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13347439 _cell_length_b 5.13347439 _cell_length_c 5.13347439 _cell_angle_alpha 144.80671924 _cell_angle_beta 129.37683987 _cell_angle_gamma 63.15165028 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrReW2 _chemical_formula_sum 'Cr1 Re1 W2' _cell_volume 59.58581023 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.03477884 1 Re Re1 1 0.00000000 2.19476861 2.20090373 1 W W2 1 0.00000000 -0.00000000 4.35686725 1 W W3 1 1.55192117 -0.00000000 2.15435619 1 [/CIF]
CrReW2
Imm2
44
orthorhombic
mm2
16,884.911353
false
[CIF] data_MoOsRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83482031 _cell_length_b 3.83482031 _cell_length_c 3.94510358 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoOsRh2 _chemical_formula_sum 'Mo1 Os1 Rh2' _cell_volume 58.01608890 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 1.91741016 1.91741016 0.00000000 1 Rh Rh2 1 1.91741016 0.00000000 1.97255179 1 Rh Rh3 1 0.00000000 1.91741016 1.97255179 1 [/CIF]
MoOsRh2
P4/mmm
123
tetragonal
4/mmm
14,082.074418
false
[CIF] data_In2CoAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78954625 _cell_length_b 4.78954625 _cell_length_c 4.78954625 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2CoAs _chemical_formula_sum 'In2 Co1 As1' _cell_volume 77.69053558 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.08008094 5.08008095 5.08008095 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 In In2 1 1.69336032 1.69336032 1.69336032 1 In In3 1 3.38672063 3.38672063 3.38672063 1 [/CIF]
AsCoIn2
F-43m
216
cubic
-43m
7,769.165973
false
[CIF] data_TaIr2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81588561 _cell_length_b 4.81588561 _cell_length_c 4.81588561 _cell_angle_alpha 131.94077233 _cell_angle_beta 131.94077233 _cell_angle_gamma 70.32258665 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaIr2Rh _chemical_formula_sum 'Ta1 Ir2 Rh1' _cell_volume 60.56595914 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.93715083 1 Ir Ir1 1 -0.00000000 1.96107082 1.96857542 1 Rh Rh2 1 -0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 1.96107082 0.00000000 1.96857542 1 [/CIF]
Ir2RhTa
I-4m2
119
tetragonal
-42m
18,322.458986
false
[CIF] data_MnTlHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76404030 _cell_length_b 4.76404030 _cell_length_c 4.76404030 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnTlHg _chemical_formula_sum 'Mn1 Tl1 Hg1' _cell_volume 76.45594864 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 3.36868520 3.36868520 3.36868520 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 1.68434260 1.68434260 1.68434260 1 [/CIF]
HgMnTl
F-43m
216
cubic
-43m
9,988.768293
false
[CIF] data_TaMnS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37891960 _cell_length_b 4.37891960 _cell_length_c 4.37891960 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaMnS3 _chemical_formula_sum 'Ta1 Mn1 S3' _cell_volume 83.96550686 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy S S0 1 0.00000000 2.18945980 0.00000000 1 S S1 1 0.00000000 0.00000000 2.18945980 1 S S2 1 2.18945980 0.00000000 0.00000000 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 Ta Ta4 1 2.18945980 2.18945980 2.18945980 1 [/CIF]
MnS3Ta
Pm-3m
221
cubic
m-3m
6,567.379509
false
[CIF] data_Cd2SbIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16386614 _cell_length_b 4.16386614 _cell_length_c 4.60256247 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2SbIr _chemical_formula_sum 'Cd2 Sb1 Ir1' _cell_volume 79.79822121 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.08193307 2.30128123 1 Cd Cd1 1 2.08193307 0.00000000 2.30128123 1 Ir Ir2 1 2.08193307 2.08193307 0.00000000 1 Sb Sb3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cd2IrSb
P4/mmm
123
tetragonal
4/mmm
11,211.989127
false
[CIF] data_HfBeOsRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36653093 _cell_length_b 4.36653093 _cell_length_c 4.36653093 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBeOsRu _chemical_formula_sum 'Hf1 Be1 Os1 Ru1' _cell_volume 58.87007976 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 1.54380182 1.54380182 1.54380182 1 Os Os2 1 4.63140545 4.63140545 4.63140545 1 Ru Ru3 1 3.08760363 3.08760363 3.08760363 1 [/CIF]
BeHfOsRu
F-43m
216
cubic
-43m
13,505.497727
false
[CIF] data_Ta2SbPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27908039 _cell_length_b 5.27908039 _cell_length_c 5.27908039 _cell_angle_alpha 140.61015695 _cell_angle_beta 127.83940099 _cell_angle_gamma 67.27575642 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2SbPd _chemical_formula_sum 'Ta2 Sb1 Pd1' _cell_volume 72.59064633 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.34163826 1 Sb Sb1 1 1.77911243 0.00000000 2.30142821 1 Ta Ta2 1 -0.00000000 0.00000000 8.79024035 1 Ta Ta3 1 0.00000000 2.32084405 2.14719674 1 [/CIF]
PdSbTa2
Imm2
44
orthorhombic
mm2
13,498.210876
false
[CIF] data_Ca3AlPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.94922090 _cell_length_b 5.94922090 _cell_length_c 5.94922090 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3AlPb _chemical_formula_sum 'Ca3 Al1 Pb1' _cell_volume 210.56213957 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.97461045 2.97461045 2.97461045 1 Ca Ca1 1 2.97461045 0.00000000 2.97461045 1 Ca Ca2 1 2.97461045 2.97461045 0.00000000 1 Ca Ca3 1 0.00000000 2.97461045 2.97461045 1 Al Al4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AlCa3Pb
Pm-3m
221
cubic
m-3m
2,794.998421
false
[CIF] data_HgPRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41148950 _cell_length_b 4.41148950 _cell_length_c 3.13106450 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgPRu2 _chemical_formula_sum 'Hg1 P1 Ru2' _cell_volume 60.93439646 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.20574475 2.20574475 0.00000000 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 0.00000000 2.20574475 1.56553225 1 Ru Ru3 1 2.20574475 0.00000000 1.56553225 1 [/CIF]
HgPRu2
P4/mmm
123
tetragonal
4/mmm
11,818.973879
false
[CIF] data_YBeCdPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72525314 _cell_length_b 4.72525314 _cell_length_c 4.72525314 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YBeCdPd _chemical_formula_sum 'Y1 Be1 Cd1 Pd1' _cell_volume 74.60367836 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cd Cd1 1 5.01188781 5.01188781 5.01188781 1 Pd Pd2 1 3.34125854 3.34125854 3.34125854 1 Y Y3 1 1.67062927 1.67062927 1.67062927 1 [/CIF]
BeCdPdY
F-43m
216
cubic
-43m
7,050.244083
false
[CIF] data_Nb2GeCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65572867 _cell_length_b 4.65572867 _cell_length_c 3.03211625 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2GeCl _chemical_formula_sum 'Nb2 Ge1 Cl1' _cell_volume 65.72357406 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 2.32786434 2.32786434 0.00000000 1 Nb Nb2 1 2.32786434 0.00000000 1.51605813 1 Nb Nb3 1 0.00000000 2.32786434 1.51605813 1 [/CIF]
ClGeNb2
P4/mmm
123
tetragonal
4/mmm
7,425.676454
false
[CIF] data_ScHgW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29241895 _cell_length_b 5.29241895 _cell_length_c 5.29241895 _cell_angle_alpha 140.67473168 _cell_angle_beta 126.98514299 _cell_angle_gamma 67.96525901 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScHgW2 _chemical_formula_sum 'Sc1 Hg1 W2' _cell_volume 73.83916738 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 -0.00000000 2.36207982 0.04902186 1 Sc Sc1 1 0.00000000 -0.00000000 2.08720120 1 W W2 1 0.00000000 2.36207982 4.24108679 1 W W3 1 0.00000000 0.00000000 6.78822371 1 [/CIF]
HgScW2
Imm2
44
orthorhombic
mm2
13,790.588649
false
[CIF] data_FeTcPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21746268 _cell_length_b 4.21746268 _cell_length_c 4.21746268 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeTcPb _chemical_formula_sum 'Fe1 Tc1 Pb1' _cell_volume 53.04430294 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 1.49109823 1.49109823 1.49109823 1 Tc Tc2 1 4.47329469 4.47329469 4.47329469 1 [/CIF]
FePbTc
F-43m
216
cubic
-43m
11,330.794722
false
[CIF] data_VGeW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39239401 _cell_length_b 4.39239401 _cell_length_c 4.39239401 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VGeW2 _chemical_formula_sum 'V1 Ge1 W2' _cell_volume 59.92235528 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy W W0 1 4.65883739 4.65883739 4.65883739 1 W W1 1 3.10589159 3.10589159 3.10589159 1 Ge Ge2 1 1.55294580 1.55294580 1.55294580 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GeVW2
F-43m
216
cubic
-43m
13,613.598945
false
[CIF] data_CaBeZnGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67414989 _cell_length_b 4.67414989 _cell_length_c 4.67414989 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaBeZnGe _chemical_formula_sum 'Ca1 Be1 Zn1 Ge1' _cell_volume 72.20926199 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ca Ca1 1 3.30512308 3.30512308 3.30512308 1 Ge Ge2 1 1.65256154 1.65256154 1.65256154 1 Zn Zn3 1 4.95768462 4.95768462 4.95768462 1 [/CIF]
BeCaGeZn
F-43m
216
cubic
-43m
4,302.824297
false
[CIF] data_NaMnReSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44685761 _cell_length_b 4.44685761 _cell_length_c 4.44685761 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMnReSn _chemical_formula_sum 'Na1 Mn1 Re1 Sn1' _cell_volume 62.17913441 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.14440317 3.14440317 3.14440317 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 4.71660476 4.71660476 4.71660476 1 Sn Sn3 1 1.57220158 1.57220158 1.57220158 1 [/CIF]
MnNaReSn
F-43m
216
cubic
-43m
10,224.149574
false
[CIF] data_HoTl2Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17553091 _cell_length_b 5.17553091 _cell_length_c 5.17553091 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HoTl2Zn _chemical_formula_sum 'Ho1 Tl2 Zn1' _cell_volume 98.02790500 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ho Ho0 1 3.65965300 3.65965300 3.65965300 1 Tl Tl1 1 5.48947950 5.48947950 5.48947950 1 Tl Tl2 1 1.82982650 1.82982650 1.82982650 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HoTl2Zn
Fm-3m
225
cubic
m-3m
10,825.6133
false
[CIF] data_Al2CuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70547532 _cell_length_b 4.70547532 _cell_length_c 4.36674398 _cell_angle_alpha 101.90110707 _cell_angle_beta 101.90110707 _cell_angle_gamma 41.40813861 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2CuAu _chemical_formula_sum 'Al2 Cu1 Au1' _cell_volume 62.37663135 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00985369 -0.00000000 0.18716034 1 Al Al1 1 1.48463809 -0.00000000 3.08820096 1 Au Au2 1 3.94480335 0.00000000 2.26097730 1 Cu Cu3 1 6.34114121 -0.00000000 0.85261738 1 [/CIF]
Al2AuCu
Cm
8
monoclinic
m
8,371.710442
false
[CIF] data_MgReMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.68935981 _cell_length_b 4.48049321 _cell_length_c 5.34937917 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.09411807 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgReMo2 _chemical_formula_sum 'Mg1 Re1 Mo2' _cell_volume 63.46045451 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 -0.02170343 0.00000000 3.95249015 1 Mo Mo1 1 1.66530021 2.24024660 5.23262188 1 Mo Mo2 1 1.77049896 0.00000000 1.34241358 1 Re Re3 1 0.96539764 2.24024660 2.63891709 1 [/CIF]
MgMo2Re
Pm
6
monoclinic
m
10,530.243799
false
[CIF] data_InFeSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67234639 _cell_length_b 4.05538518 _cell_length_c 6.66579059 _cell_angle_alpha 90.00000000 _cell_angle_beta 105.26082034 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InFeSb2 _chemical_formula_sum 'In1 Fe1 Sb2' _cell_volume 95.77157610 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 -0.87726274 0.00000000 3.21536952 1 Sb Sb2 1 0.79407775 2.02769259 5.13398347 1 Sb Sb3 1 1.12374317 2.02769259 1.29675557 1 [/CIF]
FeInSb2
P2/m
10
monoclinic
2/m
7,181.32749
false
[CIF] data_KSrCrOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93325880 _cell_length_b 4.93325880 _cell_length_c 4.93325880 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSrCrOs _chemical_formula_sum 'K1 Sr1 Cr1 Os1' _cell_volume 84.89589666 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.48834075 3.48834075 3.48834075 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 5.23251113 5.23251113 5.23251113 1 Sr Sr3 1 1.74417038 1.74417038 1.74417038 1 [/CIF]
CrKOsSr
F-43m
216
cubic
-43m
7,216.445243
false
[CIF] data_Sr2GaSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51072872 _cell_length_b 5.51072872 _cell_length_c 5.51072872 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2GaSe _chemical_formula_sum 'Sr2 Ga1 Se1' _cell_volume 118.33469614 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Se Se1 1 3.89667365 3.89667365 3.89667365 1 Sr Sr2 1 1.94833683 1.94833682 1.94833682 1 Sr Sr3 1 5.84501047 5.84501047 5.84501047 1 [/CIF]
GaSeSr2
Fm-3m
225
cubic
m-3m
4,545.469872
false
[CIF] data_Zr2MnCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22114633 _cell_length_b 3.22114633 _cell_length_c 6.51556397 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2MnCu _chemical_formula_sum 'Zr2 Mn1 Cu1' _cell_volume 67.60408222 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 3.25778199 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 1.61057316 1.61057316 1.54472053 1 Zr Zr3 1 1.61057316 1.61057316 4.97084344 1 [/CIF]
CuMnZr2
P4/mmm
123
tetragonal
4/mmm
7,391.741012
false
[CIF] data_La2MoAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25720673 _cell_length_b 5.25720673 _cell_length_c 5.25720673 _cell_angle_alpha 123.36148581 _cell_angle_beta 120.02418366 _cell_angle_gamma 87.11767058 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2MoAu _chemical_formula_sum 'La2 Mo1 Au1' _cell_volume 99.86310724 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.80972496 1 La La1 1 -0.00000000 2.62764246 1.94312317 1 La La2 1 2.49393534 0.00000000 1.86660179 1 Mo Mo3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuLa2Mo
Immm
71
orthorhombic
mmm
9,490.310853
false
[CIF] data_KCdGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.70887780 _cell_length_b 5.70887780 _cell_length_c 5.70887780 _cell_angle_alpha 131.80429950 _cell_angle_beta 131.80429950 _cell_angle_gamma 70.53829070 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCdGe2 _chemical_formula_sum 'K1 Cd1 Ge2' _cell_volume 101.29588623 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.66100561 1 Ge Ge1 1 0.00000000 2.33091317 2.33050280 1 Ge Ge2 1 2.33091317 0.00000000 2.33050280 1 K K3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdGe2K
I4/mmm
139
tetragonal
4/mmm
4,865.254114
false
[CIF] data_Ti7(Fe3O8)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59324600 _cell_length_b 9.10855952 _cell_length_c 9.12768318 _cell_angle_alpha 68.62816397 _cell_angle_beta 84.82362023 _cell_angle_gamma 85.00529311 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti7(Fe3O8)3 _chemical_formula_sum 'Ti7 Fe9 O24' _cell_volume 430.54266832 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ti Ti0 1 2.23020960 9.83191942 3.67098734 1 Ti Ti1 1 2.30790375 6.89222977 7.86161576 1 Ti Ti2 1 2.56651422 7.08250380 4.81804735 1 Ti Ti3 1 4.67069612 5.27593704 3.60973932 1 Ti Ti4 1 4.98343561 5.42185552 0.57054819 1 Ti Ti5 1 4.90676582 2.56942671 4.91721485 1 Ti Ti6 1 1.76052977 0.86937627 0.64388464 1 Fe Fe7 1 3.05953214 10.19733355 7.02999153 1 Fe Fe8 1 5.50605080 11.43097379 7.87445070 1 Fe Fe9 1 5.32044278 8.53077006 2.71614601 1 Fe Fe10 1 5.06946195 8.35101149 5.73129602 1 Fe Fe11 1 1.85475847 6.72565730 1.46694093 1 Fe Fe12 1 1.84967976 3.82418341 5.76712017 1 Fe Fe13 1 2.14408791 3.97037240 2.73845657 1 Fe Fe14 1 5.36903091 5.59510732 6.96906587 1 Fe Fe15 1 4.29013126 2.20756069 1.49765826 1 O O16 1 2.12324308 10.76195844 5.31357945 1 O O17 1 4.82325693 10.39806217 6.10445932 1 O O18 1 1.75555706 8.77940954 1.85382990 1 O O19 1 1.08606226 8.20647431 4.43855565 1 O O20 1 4.47727467 9.29420812 0.98944392 1 O O21 1 1.41224996 10.20122194 8.15918612 1 O O22 1 3.64077745 8.64287434 4.01726769 1 O O23 1 3.05400817 8.22487111 6.65291751 1 O O24 1 1.82383419 5.93378220 6.09469527 1 O O25 1 3.47020315 6.57056586 0.15478273 1 O O26 1 5.88937515 7.61216120 7.55202484 1 O O27 1 2.69388827 5.99427963 3.29630556 1 O O28 1 1.29055271 4.66802694 0.93594097 1 O O29 1 4.50023107 6.32700035 5.15498780 1 O O30 1 3.69804602 5.74695899 8.25686059 1 O O31 1 5.43259619 6.47402123 2.36157767 1 O O32 1 4.19534686 4.24286407 1.82721840 1 O O33 1 3.51538466 3.68793186 4.45006722 1 O O34 1 0.37433599 2.06284156 0.21061853 1 O O35 1 2.61501685 3.03937802 7.52766137 1 O O36 1 6.07905130 4.11157489 4.05962383 1 O O37 1 2.21421509 1.94527095 2.43069801 1 O O38 1 5.42212728 3.60284792 6.57354958 1 O O39 1 5.12666476 1.51478205 3.36306760 1 [/CIF]
Fe9O24Ti7
P1
1
triclinic
1
4,711.759463
false
[CIF] data_LaRh2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87898523 _cell_length_b 4.87898523 _cell_length_c 4.87898523 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaRh2Br _chemical_formula_sum 'La1 Rh2 Br1' _cell_volume 82.12464624 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.17494531 5.17494531 5.17494531 1 Rh Rh2 1 3.44996354 3.44996354 3.44996354 1 Rh Rh3 1 1.72498177 1.72498177 1.72498177 1 [/CIF]
BrLaRh2
F-43m
216
cubic
-43m
8,585.715875
false
[CIF] data_SiHgGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83735640 _cell_length_b 4.83735640 _cell_length_c 4.83735640 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiHgGe2 _chemical_formula_sum 'Si1 Hg1 Ge2' _cell_volume 80.04040152 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.13079127 5.13079127 5.13079127 1 Ge Ge1 1 3.42052751 3.42052751 3.42052751 1 Hg Hg2 1 1.71026376 1.71026376 1.71026376 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ge2HgSi
F-43m
216
cubic
-43m
7,758.178434
false
[CIF] data_ReAgAs4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41108858 _cell_length_b 5.41108858 _cell_length_c 5.41108858 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReAgAs4 _chemical_formula_sum 'Re1 Ag1 As4' _cell_volume 112.03118584 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 As As1 1 4.77239213 4.77239213 2.88004273 1 As As2 1 4.77239213 2.88004273 4.77239213 1 As As3 1 2.88004273 4.77239213 4.77239213 1 As As4 1 2.88004273 2.88004273 2.88004273 1 Re Re5 1 5.73932614 5.73932614 5.73932614 1 [/CIF]
AgAs4Re
F-43m
216
cubic
-43m
8,800.802434
false
[CIF] data_LiTe2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30340343 _cell_length_b 5.30340343 _cell_length_c 5.30340343 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTe2Br _chemical_formula_sum 'Li1 Te2 Br1' _cell_volume 105.47486984 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.75007253 3.75007253 3.75007253 1 Li Li1 1 0.00000000 -0.00000000 0.00000000 1 Te Te2 1 5.62510880 5.62510880 5.62510880 1 Te Te3 1 1.87503626 1.87503626 1.87503627 1 [/CIF]
BrLiTe2
Fm-3m
225
cubic
m-3m
5,384.970713
false
[CIF] data_Ti4AlCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.01102706 _cell_length_b 2.82799118 _cell_length_c 7.58501038 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti4AlCu _chemical_formula_sum 'Ti8 Al2 Cu2' _cell_volume 193.28961631 _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 2.25275676 0.00000000 1.57048087 1 Al Al1 1 6.75827030 0.00000000 6.01452951 1 Cu Cu2 1 2.25275676 0.00000000 4.04937779 1 Cu Cu3 1 6.75827030 0.00000000 3.53563259 1 Ti Ti4 1 0.00000000 0.00000000 0.00000000 1 Ti Ti5 1 4.50551353 0.00000000 0.00000000 1 Ti Ti6 1 2.25275676 1.41399559 6.67099554 1 Ti Ti7 1 6.75827030 1.41399559 0.91401484 1 Ti Ti8 1 8.96288988 1.41399559 2.50739539 1 Ti Ti9 1 4.55365071 1.41399559 2.50739539 1 Ti Ti10 1 0.04813718 1.41399559 5.07761499 1 Ti Ti11 1 4.45737635 1.41399559 5.07761499 1 [/CIF]
Al2Cu2Ti8
Pmma
51
orthorhombic
mmm
4,845.212251
false
[CIF] data_ZnReBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05367956 _cell_length_b 5.05367956 _cell_length_c 5.05367956 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnReBr2 _chemical_formula_sum 'Zn1 Re1 Br2' _cell_volume 91.26580870 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.78674555 1.78674555 1.78674555 1 Br Br1 1 3.57349109 3.57349109 3.57349109 1 Re Re2 1 5.36023664 5.36023664 5.36023664 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br2ReZn
F-43m
216
cubic
-43m
7,485.141248
false
[CIF] data_LaCdInRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04795374 _cell_length_b 5.04795374 _cell_length_c 5.04795374 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCdInRe _chemical_formula_sum 'La1 Cd1 In1 Re1' _cell_volume 90.95594721 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 0.00000000 1 In In1 1 3.56944232 3.56944232 3.56944232 1 La La2 1 1.78472116 1.78472116 1.78472116 1 Re Re3 1 5.35416348 5.35416348 5.35416348 1 [/CIF]
CdInLaRe
F-43m
216
cubic
-43m
10,083.833078
false
[CIF] data_NaPaPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82347469 _cell_length_b 4.82347469 _cell_length_c 4.82347469 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaPaPd2 _chemical_formula_sum 'Na1 Pa1 Pd2' _cell_volume 79.35330402 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pa Pa1 1 3.41071166 3.41071166 3.41071166 1 Pd Pd2 1 5.11606749 5.11606749 5.11606749 1 Pd Pd3 1 1.70535583 1.70535583 1.70535583 1 [/CIF]
NaPaPd2
Fm-3m
225
cubic
m-3m
9,769.58249
false
[CIF] data_GeBi2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29738759 _cell_length_b 5.29738759 _cell_length_c 5.29738759 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeBi2Cl _chemical_formula_sum 'Ge1 Bi2 Cl1' _cell_volume 105.11634520 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.74581869 3.74581869 3.74581869 1 Bi Bi1 1 5.61872804 5.61872804 5.61872804 1 Cl Cl2 1 0.00000000 0.00000000 0.00000000 1 Ge Ge3 1 1.87290935 1.87290935 1.87290935 1 [/CIF]
Bi2ClGe
F-43m
216
cubic
-43m
8,310.152759
false
[CIF] data_KMg2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.49686016 _cell_length_b 6.49686016 _cell_length_c 3.18257669 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 118.60767023 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMg2Sb _chemical_formula_sum 'K1 Mg2 Sb1' _cell_volume 117.93434684 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 1.65827600 2.79328098 1.59128835 1 Mg Mg2 1 1.65827600 -2.79328098 1.59128835 1 Sb Sb3 1 3.31655201 0.00000000 0.00000000 1 [/CIF]
KMg2Sb
Cmmm
65
orthorhombic
mmm
2,949.355338
false
[CIF] data_Na3Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.83623273 _cell_length_b 5.83623273 _cell_length_c 5.83623273 _cell_angle_alpha 132.59190327 _cell_angle_beta 131.03764326 _cell_angle_gamma 70.52918417 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na3Ga _chemical_formula_sum 'Na3 Ga1' _cell_volume 108.15942849 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.76525217 1 Na Na1 1 2.34623836 0.00000000 2.44638287 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Na Na3 1 0.00000000 2.41850157 2.31886930 1 [/CIF]
GaNa3
Immm
71
orthorhombic
mmm
2,129.301149
false
[CIF] data_SrTiMnV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65546108 _cell_length_b 4.65546108 _cell_length_c 4.65546108 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTiMnV _chemical_formula_sum 'Sr1 Ti1 Mn1 V1' _cell_volume 71.34657068 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.29190810 3.29190810 3.29190810 1 Sr Sr1 1 1.64595405 1.64595405 1.64595405 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 4.93786215 4.93786215 4.93786215 1 [/CIF]
MnSrTiV
F-43m
216
cubic
-43m
5,617.62918
false
[CIF] data_TiCuO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85077300 _cell_length_b 3.85077300 _cell_length_c 3.85077300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCuO3 _chemical_formula_sum 'Ti1 Cu1 O3' _cell_volume 57.10100528 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ti Ti0 1 0.00000000 0.00000000 0.00000000 1 Cu Cu1 1 1.92538650 1.92538650 1.92538650 1 O O2 1 0.00000000 0.00000000 1.92538650 1 O O3 1 0.00000000 1.92538650 0.00000000 1 O O4 1 1.92538650 0.00000000 0.00000000 1 [/CIF]
CuO3Ti
Pm-3m
221
cubic
m-3m
4,635.794483
false
[CIF] data_NdTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81023275 _cell_length_b 4.81023275 _cell_length_c 4.81023275 _cell_angle_alpha 41.61444881 _cell_angle_beta 41.61444881 _cell_angle_gamma 41.61444881 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdTc _chemical_formula_sum 'Nd1 Tc1' _cell_volume 44.37035609 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nd Nd0 1 0.00000000 0.00000000 6.58043700 1 Tc Tc1 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
NdTc
R-3m
166
trigonal
-3m
9,099.703098
false
[CIF] data_CuRhAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45415831 _cell_length_b 5.45415831 _cell_length_c 5.45415831 _cell_angle_alpha 149.89185284 _cell_angle_beta 128.78064012 _cell_angle_gamma 60.56600750 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuRhAu2 _chemical_formula_sum 'Cu1 Rh1 Au2' _cell_volume 62.91791620 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 -0.00000000 0.00000000 9.37811689 1 Au Au1 1 1.41661145 -0.00000000 2.48476961 1 Cu Cu2 1 0.00000000 0.00000000 4.74886797 1 Rh Rh3 1 -0.00000000 2.35749505 2.22789393 1 [/CIF]
Au2CuRh
Imm2
44
orthorhombic
mm2
14,789.755286
false
[CIF] data_NbRh2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19385937 _cell_length_b 4.19385937 _cell_length_c 3.95655947 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbRh2Pb _chemical_formula_sum 'Nb1 Rh2 Pb1' _cell_volume 69.58977396 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Pb Pb1 1 2.09692969 2.09692969 0.00000000 1 Rh Rh2 1 2.09692969 0.00000000 1.97827974 1 Rh Rh3 1 0.00000000 2.09692969 1.97827974 1 [/CIF]
NbPbRh2
P4/mmm
123
tetragonal
4/mmm
12,073.627068
false
[CIF] data_NbSbPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.85357341 _cell_length_b 5.85357341 _cell_length_c 5.85357341 _cell_angle_alpha 150.41523980 _cell_angle_beta 144.50110820 _cell_angle_gamma 46.86238126 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbSbPt _chemical_formula_sum 'Nb1 Sb1 Pt1' _cell_volume 57.29554781 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.60094439 1 Pt Pt1 1 0.00000000 -0.00000000 3.72923061 1 Sb Sb2 1 -0.00000000 0.00000000 7.15333596 1 [/CIF]
NbPtSb
Imm2
44
orthorhombic
mm2
11,875.381937
false
[CIF] data_KAs2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77027960 _cell_length_b 4.77027960 _cell_length_c 4.77027960 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KAs2Os _chemical_formula_sum 'K1 As2 Os1' _cell_volume 76.75673733 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.37309705 3.37309705 3.37309705 1 As As1 1 1.68654853 1.68654853 1.68654853 1 K K2 1 0.00000000 -0.00000000 0.00000000 1 Os Os3 1 5.05964558 5.05964558 5.05964558 1 [/CIF]
As2KOs
F-43m
216
cubic
-43m
8,202.91626
false
[CIF] data_La2HfAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88231689 _cell_length_b 5.88231689 _cell_length_c 5.88231689 _cell_angle_alpha 132.68118102 _cell_angle_beta 132.68118102 _cell_angle_gamma 69.15527997 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2HfAl _chemical_formula_sum 'La2 Hf1 Al1' _cell_volume 107.95183469 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 0.00000000 0.00000000 4.84325214 1 La La2 1 -0.00000000 2.36056780 2.42162607 1 La La3 1 2.36056780 0.00000000 2.42162607 1 [/CIF]
AlHfLa2
I4/mmm
139
tetragonal
4/mmm
7,433.958285
false
[CIF] data_Ni2MoIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.70310788 _cell_length_b 2.70310788 _cell_length_c 7.15485095 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2MoIr _chemical_formula_sum 'Ni2 Mo1 Ir1' _cell_volume 52.27900919 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.35155394 1.35155394 3.49670023 1 Mo Mo1 1 0.00000000 0.00000000 5.45774184 1 Ni Ni2 1 1.35155394 1.35155394 0.07876933 1 Ni Ni3 1 0.00000000 0.00000000 1.69906496 1 [/CIF]
IrMoNi2
P4mm
99
tetragonal
4mm
12,881.929943
false
[CIF] data_VMoPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87394947 _cell_length_b 4.87394947 _cell_length_c 2.71421515 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.55441217 _symmetry_Int_Tables_number 1 _chemical_formula_structural VMoPt2 _chemical_formula_sum 'V1 Mo1 Pt2' _cell_volume 59.54572595 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 2.70589665 0.00000000 0.00000000 1 Pt Pt1 1 1.35294832 -2.02691310 1.35710757 1 Pt Pt2 1 1.35294832 2.02691310 1.35710757 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MoPt2V
Cmmm
65
orthorhombic
mmm
14,977.143566
false
[CIF] data_FeHgPdRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42842687 _cell_length_b 4.42842687 _cell_length_c 4.42842687 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeHgPdRu _chemical_formula_sum 'Fe1 Hg1 Pd1 Ru1' _cell_volume 61.40919919 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 3.13137067 3.13137067 3.13137067 1 Pd Pd2 1 1.56568534 1.56568534 1.56568534 1 Ru Ru3 1 4.69705601 4.69705601 4.69705601 1 [/CIF]
FeHgPdRu
F-43m
216
cubic
-43m
12,544.79128
false
[CIF] data_LaMnCuMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73516422 _cell_length_b 4.73516422 _cell_length_c 4.73516422 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMnCuMo _chemical_formula_sum 'La1 Mn1 Cu1 Mo1' _cell_volume 75.07410064 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.34826673 3.34826673 3.34826673 1 La La1 1 1.67413337 1.67413337 1.67413337 1 Mn Mn2 1 0.00000000 0.00000000 0.00000000 1 Mo Mo3 1 5.02240010 5.02240010 5.02240010 1 [/CIF]
CuLaMnMo
F-43m
216
cubic
-43m
7,815.620418
false
[CIF] data_Cs3VF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.15449486 _cell_length_b 6.15449486 _cell_length_c 6.15449486 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs3VF _chemical_formula_sum 'Cs3 V1 F1' _cell_volume 233.11876838 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 3.07724743 0.00000000 1 Cs Cs1 1 0.00000000 0.00000000 3.07724743 1 Cs Cs2 1 3.07724743 0.00000000 0.00000000 1 F F3 1 0.00000000 0.00000000 0.00000000 1 V V4 1 3.07724743 3.07724743 3.07724743 1 [/CIF]
Cs3FV
Pm-3m
221
cubic
m-3m
3,338.307045
false
[CIF] data_ZrAlGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73055325 _cell_length_b 4.73055325 _cell_length_c 4.73055325 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAlGe2 _chemical_formula_sum 'Zr1 Al1 Ge2' _cell_volume 74.85499892 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Ge Ge1 1 5.01750942 5.01750942 5.01750942 1 Ge Ge2 1 1.67250314 1.67250314 1.67250314 1 Zr Zr3 1 3.34500628 3.34500628 3.34500628 1 [/CIF]
AlGe2Zr
Fm-3m
225
cubic
m-3m
5,845.007503
false
[CIF] data_NaZnCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.66382972 _cell_length_b 7.57228751 _cell_length_c 2.56766657 _cell_angle_alpha 82.31791951 _cell_angle_beta 78.29004174 _cell_angle_gamma 19.39203875 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZnCr _chemical_formula_sum 'Na1 Zn1 Cr1' _cell_volume 47.67480817 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61216682 1.99845684 14.59392463 1 Na Na1 1 1.61216682 1.99845684 9.83704288 1 Zn Zn2 1 1.61216682 1.99845684 5.16374993 1 [/CIF]
CrNaZn
Fmm2
42
orthorhombic
mm2
4,889.018299
false
[CIF] data_BaFeCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.20438810 _cell_length_b 6.20438810 _cell_length_c 6.20438810 _cell_angle_alpha 148.54221463 _cell_angle_beta 148.54221463 _cell_angle_gamma 45.08558142 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaFeCo _chemical_formula_sum 'Ba1 Fe1 Co1' _cell_volume 64.84126503 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 -0.00000000 0.00563624 1 Co Co1 1 0.00000000 -0.00000000 3.14061924 1 Fe Fe2 1 0.00000000 -0.00000000 8.31440922 1 [/CIF]
BaCoFe
I4mm
107
tetragonal
4mm
6,456.236241
false
[CIF] data_Cr2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69803463 _cell_length_b 4.69803463 _cell_length_c 4.69803463 _cell_angle_alpha 149.05520296 _cell_angle_beta 129.26821117 _cell_angle_gamma 60.61901707 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2Ag _chemical_formula_sum 'Cr2 Ag1' _cell_volume 40.92293672 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cr Cr1 1 0.00000000 0.00000000 5.46321768 1 Cr Cr2 1 0.00000000 0.00000000 2.64851987 1 [/CIF]
Ag2Cr4
Immm
71
orthorhombic
mmm
8,596.706372
false
[CIF] data_HfCrRhAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55089888 _cell_length_b 4.55089888 _cell_length_c 4.55089888 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCrRhAu _chemical_formula_sum 'Hf1 Cr1 Rh1 Au1' _cell_volume 66.64637920 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.21797146 3.21797146 3.21797146 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Hf Hf2 1 4.82695719 4.82695719 4.82695719 1 Rh Rh3 1 1.60898573 1.60898573 1.60898573 1 [/CIF]
AuCrHfRh
F-43m
216
cubic
-43m
13,214.228132
false
[CIF] data_Re2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.77323126 _cell_length_b 7.77323126 _cell_length_c 4.43975123 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 159.26027128 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2Ag _chemical_formula_sum 'Re4 Ag2' _cell_volume 94.99843040 _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 Ag Ag0 1 1.39919558 -4.27022587 3.32981342 1 Ag Ag1 1 1.39919558 4.27022587 1.10993781 1 Re Re2 1 1.39919558 6.09728319 3.32981342 1 Re Re3 1 1.39919558 0.76823574 3.32981342 1 Re Re4 1 1.39919558 -0.76823574 1.10993781 1 Re Re5 1 1.39919558 -6.09728319 1.10993781 1 [/CIF]
Ag2Re4
Cmcm
63
orthorhombic
mmm
16,790.327014
false
[CIF] data_SmB2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22816480 _cell_length_b 4.22816480 _cell_length_c 4.22816480 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmB2Ru _chemical_formula_sum 'Sm1 B2 Ru1' _cell_volume 53.44913982 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.49488200 1.49488200 1.49488200 1 B B1 1 4.48464600 4.48464600 4.48464600 1 Ru Ru2 1 0.00000000 0.00000000 0.00000000 1 Sm Sm3 1 2.98976400 2.98976400 2.98976400 1 [/CIF]
B2RuSm
Fm-3m
225
cubic
m-3m
8,483.083446
false
[CIF] data_Cu2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.25653210 _cell_length_b 6.25653210 _cell_length_c 6.25653210 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2Te _chemical_formula_sum 'Cu8 Te4' _cell_volume 244.90690578 _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 Cu Cu0 1 0.76496691 3.89323296 5.49156519 1 Cu Cu1 1 5.49156519 2.36329914 0.76496691 1 Cu Cu2 1 3.89323296 5.49156519 0.76496691 1 Cu Cu3 1 2.36329914 0.76496691 5.49156519 1 Cu Cu4 1 5.49156519 0.76496691 3.89323296 1 Cu Cu5 1 0.76496691 5.49156519 2.36329914 1 Cu Cu6 1 2.36329914 2.36329914 2.36329914 1 Cu Cu7 1 3.89323296 3.89323296 3.89323296 1 Te Te8 1 3.12826605 0.00000000 3.12826605 1 Te Te9 1 0.00000000 3.12826605 3.12826605 1 Te Te10 1 0.00000000 0.00000000 0.00000000 1 Te Te11 1 3.12826605 3.12826605 0.00000000 1 [/CIF]
Cu8Te4
Pa-3
205
cubic
m-3
6,907.539248
false
[CIF] data_HfTaInHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87462497 _cell_length_b 4.87462497 _cell_length_c 4.87462497 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTaInHg _chemical_formula_sum 'Hf1 Ta1 In1 Hg1' _cell_volume 81.90466302 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.17032056 5.17032056 5.17032056 1 Hg Hg1 1 3.44688037 3.44688037 3.44688037 1 In In2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 1.72344019 1.72344019 1.72344019 1 [/CIF]
HfHgInTa
F-43m
216
cubic
-43m
13,681.85774
false
[CIF] data_ScIr2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87201504 _cell_length_b 2.87201504 _cell_length_c 7.99701162 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScIr2W _chemical_formula_sum 'Sc1 Ir2 W1' _cell_volume 65.96311356 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.96988832 1 Ir Ir1 1 1.43600752 1.43600752 1.95115656 1 Sc Sc2 1 0.00000000 0.00000000 3.83948323 1 W W3 1 1.43600752 1.43600752 6.23200102 1 [/CIF]
Ir2ScW
P4mm
99
tetragonal
4mm
15,437.297768
false
[CIF] data_KBrCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27448904 _cell_length_b 4.13904366 _cell_length_c 7.31708219 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.13415956 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBrCl2 _chemical_formula_sum 'K1 Br1 Cl2' _cell_volume 127.01933120 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.43075471 0.00000000 3.58967897 1 Cl Cl1 1 0.80466302 2.06952183 5.57991100 1 Cl Cl2 1 2.05684641 2.06952183 1.59944694 1 K K3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrCl2K
P2/m
10
monoclinic
2/m
2,482.694156
false
[CIF] data_K2AlRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.37264300 _cell_length_b 6.37264300 _cell_length_c 6.37264300 _cell_angle_alpha 143.27569728 _cell_angle_beta 143.27569728 _cell_angle_gamma 52.91176765 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2AlRu _chemical_formula_sum 'K2 Al1 Ru1' _cell_volume 91.97265135 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 2.00752374 -0.00000000 2.85264245 1 K K2 1 0.00000000 2.00752374 2.85264245 1 Ru Ru3 1 0.00000000 -0.00000000 5.70528489 1 [/CIF]
AlK2Ru
I4/mmm
139
tetragonal
4/mmm
3,723.749251
false
[CIF] data_Al2CdPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07853963 _cell_length_b 4.07853963 _cell_length_c 4.03767417 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2CdPd _chemical_formula_sum 'Al2 Cd1 Pd1' _cell_volume 67.16463249 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 2.03926981 2.01883708 1 Al Al1 1 2.03926981 0.00000000 2.01883708 1 Cd Cd2 1 2.03926981 2.03926981 0.00000000 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2CdPd
P4/mmm
123
tetragonal
4/mmm
6,744.401116
false
[CIF] data_SnB2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33635581 _cell_length_b 3.17334772 _cell_length_c 4.43302824 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.29016656 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnB2Pd _chemical_formula_sum 'Sn1 B2 Pd1' _cell_volume 60.95313481 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.17443683 0.00000000 4.19670888 1 B B1 1 3.28488816 1.58667386 3.81307793 1 Pd Pd2 1 3.02651563 0.00000000 2.00974682 1 Sn Sn3 1 0.91218604 1.58667386 1.05418501 1 [/CIF]
B2PdSn
Pm
6
monoclinic
m
6,722.235649
false
[CIF] data_HfTlAgRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71955069 _cell_length_b 4.71955069 _cell_length_c 4.71955069 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTlAgRu _chemical_formula_sum 'Hf1 Tl1 Ag1 Ru1' _cell_volume 74.33390841 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 5.00583945 5.00583945 5.00583945 1 Hf Hf1 1 3.33722630 3.33722630 3.33722630 1 Ru Ru2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 1.66861315 1.66861315 1.66861315 1 [/CIF]
AgHfRuTl
F-43m
216
cubic
-43m
13,220.428427
false
[CIF] data_ZnCoW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.72688918 _cell_length_b 2.72688918 _cell_length_c 6.46430759 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCoW _chemical_formula_sum 'Zn1 Co1 W1' _cell_volume 41.62819894 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.02013612 1 W W1 1 1.36344459 0.78718510 2.03334621 1 Zn Zn2 1 0.00000000 1.57437020 4.41082526 1 [/CIF]
CoWZn
P3m1
156
trigonal
3m
12,292.158475
false
[CIF] data_YTaSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31315785 _cell_length_b 4.35419822 _cell_length_c 4.92211980 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTaSn2 _chemical_formula_sum 'Y1 Ta1 Sn2' _cell_volume 92.43910420 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sn Sn0 1 0.00000000 2.17709911 2.46105990 1 Sn Sn1 1 2.15657892 2.17709911 0.00000000 1 Ta Ta2 1 2.15657892 0.00000000 2.46105990 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Sn2TaY
Pmmm
47
orthorhombic
mmm
9,112.462236
false
[CIF] data_ZrReSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83254750 _cell_length_b 4.83254750 _cell_length_c 4.83254750 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrReSb2 _chemical_formula_sum 'Zr1 Re1 Sb2' _cell_volume 79.80193028 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.41712711 3.41712711 3.41712711 1 Sb Sb1 1 5.12569066 5.12569066 5.12569066 1 Sb Sb2 1 1.70856355 1.70856355 1.70856355 1 Zr Zr3 1 -0.00000000 0.00000000 0.00000000 1 [/CIF]
ReSb2Zr
Fm-3m
225
cubic
m-3m
10,840.301324
false
[CIF] data_Mg2Ti _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.90578193 _cell_length_b 6.90578193 _cell_length_c 4.16580773 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 141.95455578 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2Ti _chemical_formula_sum 'Mg4 Ti2' _cell_volume 122.43552583 _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 2.25089196 1.08164607 3.12435580 1 Mg Mg1 1 2.25089196 -1.08164607 1.04145193 1 Mg Mg2 1 2.25089196 -3.31240531 3.12435580 1 Mg Mg3 1 2.25089196 3.31240531 1.04145193 1 Ti Ti4 1 2.25089196 5.61193855 3.12435580 1 Ti Ti5 1 2.25089196 -5.61193855 1.04145193 1 [/CIF]
Mg4Ti2
Cmcm
63
orthorhombic
mmm
2,616.950047
false
[CIF] data_Ti(AlCu)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10289882 _cell_length_b 6.40130061 _cell_length_c 7.92820363 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti(AlCu)3 _chemical_formula_sum 'Ti2 Al6 Cu6' _cell_volume 208.22545788 _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 0.00000000 1.68189533 4.76922841 1 Al Al1 1 0.00000000 4.71940528 4.76922841 1 Al Al2 1 2.05144941 4.88254563 3.15897522 1 Al Al3 1 2.05144941 1.51875498 3.15897522 1 Al Al4 1 0.00000000 0.00000000 0.42655884 1 Al Al5 1 2.05144941 3.20065031 7.50164479 1 Cu Cu6 1 0.00000000 1.95756286 7.11752967 1 Cu Cu7 1 0.00000000 4.44373775 7.11752967 1 Cu Cu8 1 2.05144941 5.15821316 0.81067396 1 Cu Cu9 1 2.05144941 1.24308745 0.81067396 1 Cu Cu10 1 0.00000000 0.00000000 2.90826536 1 Cu Cu11 1 2.05144941 3.20065031 5.01993827 1 Ti Ti12 1 0.00000000 3.20065031 1.87712058 1 Ti Ti13 1 2.05144941 0.00000000 6.05108305 1 [/CIF]
Al6Cu6Ti2
Pmmn
59
orthorhombic
mmm
5,095.040465
false
[CIF] data_LaMn2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31186378 _cell_length_b 4.31186378 _cell_length_c 3.49209917 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMn2Se _chemical_formula_sum 'La1 Mn2 Se1' _cell_volume 64.92569887 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 2.15593189 2.15593189 0.00000000 1 Mn Mn1 1 2.15593189 0.00000000 1.74604958 1 Mn Mn2 1 0.00000000 2.15593189 1.74604958 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaMn2Se
P4/mmm
123
tetragonal
4/mmm
8,382.315777
false
[CIF] data_CdSeCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98465595 _cell_length_b 3.98465595 _cell_length_c 5.44578846 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdSeCl _chemical_formula_sum 'Cd1 Se1 Cl1' _cell_volume 74.88124497 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.99232799 1.15027108 5.42547425 1 Cl Cl1 1 0.00000000 0.00000000 1.50468589 1 Se Se2 1 0.00000002 2.30054217 3.96141678 1 [/CIF]
CdClSe
P3m1
156
trigonal
3m
5,029.965968
false
[CIF] data_Na2FeBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27388164 _cell_length_b 4.53828779 _cell_length_c 6.41038402 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.97954015 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2FeBi _chemical_formula_sum 'Na2 Fe1 Bi1' _cell_volume 93.17006186 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.70181720 2.26914390 3.41426585 1 Fe Fe1 1 0.02017482 0.00000000 4.50606875 1 Na Na2 1 -1.25859796 2.26914390 6.17838553 1 Na Na3 1 2.12104184 0.00000000 1.57822308 1 [/CIF]
BiFeNa2
Pm
6
monoclinic
m
5,539.373188
false
[CIF] data_Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.64763820 _cell_length_b 2.64763820 _cell_length_c 4.99799831 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn _chemical_formula_sum Zn2 _cell_volume 30.34198668 _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 0.00000000 1.52861463 1.24949958 1 Zn Zn1 1 1.32381910 0.76430731 3.74849873 1 [/CIF]
Zn2
P6_3/mmc
194
hexagonal
6/mmm
7,156.159242
false
[CIF] data_KHfMnBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69391131 _cell_length_b 4.69391131 _cell_length_c 4.69391131 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KHfMnBe _chemical_formula_sum 'K1 Hf1 Mn1 Be1' _cell_volume 73.12900115 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 4.97864478 4.97864478 4.97864478 1 K K2 1 1.65954826 1.65954826 1.65954826 1 Mn Mn3 1 3.31909652 3.31909652 3.31909652 1 [/CIF]
BeHfKMn
F-43m
216
cubic
-43m
6,392.890857
false