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_K2SbRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22560053 _cell_length_b 5.22560053 _cell_length_c 5.22560053 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2SbRu _chemical_formula_sum 'K2 Sb1 Ru1' _cell_volume 100.90057088 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 5.54258636 5.54258636 5.54258636 1 Ru Ru2 1 3.69505757 3.69505757 3.69505757 1 Sb Sb3 1 1.84752879 1.84752879 1.84752879 1 [/CIF]
K2RuSb
F-43m
216
cubic
-43m
4,954.074189
false
[CIF] data_NaAlPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.87877357 _cell_length_b 8.87877357 _cell_length_c 8.87877357 _cell_angle_alpha 19.60752341 _cell_angle_beta 19.60752341 _cell_angle_gamma 19.60752341 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaAlPd2 _chemical_formula_sum 'Na1 Al1 Pd2' _cell_volume 68.92650430 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 13.05819824 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 0.00000000 0.00000000 19.91925348 1 Pd Pd3 1 0.00000000 0.00000000 6.19714301 1 [/CIF]
AlNaPd2
R-3m
166
trigonal
-3m
6,331.504088
false
[CIF] data_LaRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77162306 _cell_length_b 5.77162306 _cell_length_c 6.96492446 _cell_angle_alpha 103.39089045 _cell_angle_beta 103.39089045 _cell_angle_gamma 30.58653490 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaRu2 _chemical_formula_sum 'La2 Ru4' _cell_volume 114.60403458 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 -1.14999192 0.00000000 5.26285991 1 La La1 1 10.61222713 -0.00000000 1.49833563 1 Ru Ru2 1 6.51992499 0.00000000 3.62059249 1 Ru Ru3 1 1.60953752 0.00000000 5.76565561 1 Ru Ru4 1 7.85269770 -0.00000000 0.99553993 1 Ru Ru5 1 2.94231023 0.00000000 3.14060305 1 [/CIF]
La2Ru4
C2/m
12
monoclinic
2/m
9,883.060897
false
[CIF] data_VTePt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88010814 _cell_length_b 2.88010814 _cell_length_c 8.59671680 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VTePt2 _chemical_formula_sum 'V1 Te1 Pt2' _cell_volume 71.30996282 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 1.44005407 1.44005407 1.70611112 1 Pt Pt1 1 1.44005407 1.44005407 6.89060568 1 Te Te2 1 0.00000000 0.00000000 4.29835840 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pt2TeV
P4/mmm
123
tetragonal
4/mmm
13,243.457537
false
[CIF] data_YbSbPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74321289 _cell_length_b 4.74321289 _cell_length_c 4.74321289 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbSbPd2 _chemical_formula_sum 'Yb1 Sb1 Pd2' _cell_volume 75.45757694 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.03093700 5.03093700 5.03093700 1 Pd Pd1 1 1.67697900 1.67697900 1.67697900 1 Sb Sb2 1 0.00000000 0.00000000 0.00000000 1 Yb Yb3 1 3.35395800 3.35395800 3.35395800 1 [/CIF]
Pd2SbYb
Fm-3m
225
cubic
m-3m
11,171.565978
false
[CIF] data_Sb2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.18948319 _cell_length_b 6.18948319 _cell_length_c 6.18948319 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sb2C _chemical_formula_sum 'Sb8 C4' _cell_volume 237.11725753 _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 C C0 1 3.09474160 0.00000000 3.09474160 1 C C1 1 0.00000000 3.09474160 3.09474160 1 C C2 1 0.00000000 0.00000000 0.00000000 1 C C3 1 3.09474160 3.09474160 0.00000000 1 Sb Sb4 1 0.88369826 3.97843986 5.30578493 1 Sb Sb5 1 5.30578493 2.21104333 0.88369826 1 Sb Sb6 1 3.97843986 5.30578493 0.88369826 1 Sb Sb7 1 2.21104333 0.88369826 5.30578493 1 Sb Sb8 1 5.30578493 0.88369826 3.97843986 1 Sb Sb9 1 0.88369826 5.30578493 2.21104333 1 Sb Sb10 1 2.21104333 2.21104333 2.21104333 1 Sb Sb11 1 3.97843986 3.97843986 3.97843986 1 [/CIF]
C4Sb8
Pa-3
205
cubic
m-3
7,157.955764
false
[CIF] data_YHf2Mg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82364022 _cell_length_b 5.82364022 _cell_length_c 3.10966833 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.72126322 _symmetry_Int_Tables_number 1 _chemical_formula_structural YHf2Mg _chemical_formula_sum 'Y1 Hf2 Mg1' _cell_volume 97.27920099 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61304272 -2.42420906 1.55483416 1 Hf Hf1 1 1.61304272 2.42420905 1.55483416 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 3.22608543 0.00000000 0.00000000 1 [/CIF]
Hf2MgY
Cmmm
65
orthorhombic
mmm
8,026.076152
false
[CIF] data_YAs2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53043045 _cell_length_b 5.53043045 _cell_length_c 3.99913250 _cell_angle_alpha 108.72410947 _cell_angle_beta 108.72410947 _cell_angle_gamma 118.43956800 _symmetry_Int_Tables_number 1 _chemical_formula_structural YAs2Pt _chemical_formula_sum 'Y1 As2 Pt1' _cell_volume 83.76259247 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.16078745 2.37569775 1.55723925 1 As As1 1 0.16078745 -2.37569775 1.55723925 1 Pt Pt2 1 2.83017698 -0.00000000 0.00000000 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2PtY
C2/m
12
monoclinic
2/m
8,600.458828
false
[CIF] data_Hf2ZnCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24894522 _cell_length_b 4.15516424 _cell_length_c 5.48453107 _cell_angle_alpha 90.00000000 _cell_angle_beta 105.62244805 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2ZnCu _chemical_formula_sum 'Hf2 Zn1 Cu1' _cell_volume 71.30535333 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.29026964 0.00000000 4.04995621 1 Hf Hf1 1 -1.28091470 2.07758212 4.99610517 1 Hf Hf2 1 1.87964625 0.00000000 1.59023614 1 Zn Zn3 1 0.29199503 2.07758212 2.56849439 1 [/CIF]
CuHf2Zn
Pm
6
monoclinic
m
11,315.642627
false
[CIF] data_LiZn2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.42878663 _cell_length_b 3.42878663 _cell_length_c 5.53126260 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZn2As _chemical_formula_sum 'Li1 Zn2 As1' _cell_volume 65.02871884 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 1.71439332 1.71439332 2.83188432 1 Li Li1 1 0.00000000 0.00000000 4.10471928 1 Zn Zn2 1 1.71439332 1.71439332 0.03446220 1 Zn Zn3 1 0.00000000 0.00000000 1.32582805 1 [/CIF]
AsLiZn2
P4mm
99
tetragonal
4mm
5,429.418572
false
[CIF] data_Hf4Re5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.27687090 _cell_length_b 8.27687090 _cell_length_c 5.36155774 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf4Re5 _chemical_formula_sum 'Hf8 Re10' _cell_volume 318.09290434 _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 Hf Hf0 1 0.00000000 0.00000000 2.68077887 1 Hf Hf1 1 0.00000000 0.00000000 0.00000000 1 Hf Hf2 1 5.15910780 0.00000000 4.02116831 1 Hf Hf3 1 -2.57955390 4.46791841 4.02116831 1 Hf Hf4 1 1.55888155 2.70006205 4.02116831 1 Hf Hf5 1 3.11776310 0.00000000 1.34038944 1 Hf Hf6 1 -1.55888155 2.70006205 1.34038944 1 Hf Hf7 1 2.57955390 4.46791841 1.34038944 1 Re Re8 1 2.48712952 0.00000000 4.02116831 1 Re Re9 1 -1.24356476 2.15391734 4.02116831 1 Re Re10 1 2.89487069 5.01406312 4.02116831 1 Re Re11 1 5.78974138 0.00000000 1.34038944 1 Re Re12 1 -2.89487069 5.01406312 1.34038944 1 Re Re13 1 1.24356476 2.15391734 1.34038944 1 Re Re14 1 0.00000000 4.77865364 2.68077887 1 Re Re15 1 4.13843545 2.38932682 0.00000000 1 Re Re16 1 4.13843545 2.38932682 2.68077887 1 Re Re17 1 0.00000000 4.77865364 0.00000000 1 [/CIF]
Hf8Re10
P6_3/mcm
193
hexagonal
6/mmm
17,174.721127
false
[CIF] data_BaTl2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03246968 _cell_length_b 5.03246968 _cell_length_c 5.52849597 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTl2Te _chemical_formula_sum 'Ba1 Tl2 Te1' _cell_volume 140.01331278 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.51623484 2.51623484 0.00000000 1 Te Te1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 0.00000000 2.51623484 2.76424798 1 Tl Tl3 1 2.51623484 0.00000000 2.76424798 1 [/CIF]
BaTeTl2
P4/mmm
123
tetragonal
4/mmm
7,989.915526
false
[CIF] data_NaTc2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.32753168 _cell_length_b 6.32753168 _cell_length_c 2.69556216 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 133.50927958 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTc2Br _chemical_formula_sum 'Na1 Tc2 Br1' _cell_volume 78.27326608 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 2.49728346 -0.00000000 0.00000000 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 1.24864173 2.90694137 1.34778108 1 Tc Tc3 1 1.24864173 -2.90694137 1.34778108 1 [/CIF]
BrNaTc2
Cmmm
65
orthorhombic
mmm
6,379.372762
false
[CIF] data_MnGaNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.08030569 _cell_length_b 4.08030569 _cell_length_c 4.08030569 _cell_angle_alpha 119.01625819 _cell_angle_beta 119.01625819 _cell_angle_gamma 91.71250704 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnGaNi2 _chemical_formula_sum 'Mn1 Ga1 Ni2' _cell_volume 48.72628877 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.84177336 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 -0.00000000 2.07041284 1.42088668 1 Ni Ni3 1 2.07041284 -0.00000000 1.42088668 1 [/CIF]
GaMnNi2
I4/mmm
139
tetragonal
4/mmm
8,248.728002
false
[CIF] data_TcPCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.93612328 _cell_length_b 8.93612328 _cell_length_c 8.93612328 _cell_angle_alpha 20.68207319 _cell_angle_beta 20.68207319 _cell_angle_gamma 20.68207319 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcPCl2 _chemical_formula_sum 'Tc1 P1 Cl2' _cell_volume 77.92276586 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.72219331 1 Cl Cl1 1 0.00000000 0.00000000 5.84941930 1 P P2 1 -0.00000000 -0.00000000 12.72469512 1 Tc Tc3 1 -0.00000000 -0.00000000 20.04292547 1 [/CIF]
Cl2PTc
R3m
160
trigonal
3m
4,278.761544
false
[CIF] data_TaGaCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80905849 _cell_length_b 2.80905849 _cell_length_c 6.61878002 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaGaCo2 _chemical_formula_sum 'Ta1 Ga1 Co2' _cell_volume 52.22753304 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 1.40452925 1.40452925 5.10397803 1 Co Co1 1 1.40452925 1.40452925 1.51480199 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 0.00000000 0.00000000 3.30939001 1 [/CIF]
Co2GaTa
P4/mmm
123
tetragonal
4/mmm
11,717.713275
false
[CIF] data_MnVZnPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32546044 _cell_length_b 4.32546044 _cell_length_c 4.32546044 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnVZnPd _chemical_formula_sum 'Mn1 V1 Zn1 Pd1' _cell_volume 57.22450383 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.58784361 4.58784361 4.58784361 1 Pd Pd1 1 3.05856241 3.05856241 3.05856241 1 V V2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 1.52928120 1.52928120 1.52928121 1 [/CIF]
MnPdVZn
F-43m
216
cubic
-43m
8,057.697343
false
[CIF] data_Ba2SrIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82691158 _cell_length_b 5.82691158 _cell_length_c 5.24818234 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2SrIn _chemical_formula_sum 'Ba2 Sr1 In1' _cell_volume 178.19100293 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.91345579 2.62409117 1 Ba Ba1 1 2.91345579 0.00000000 2.62409117 1 In In2 1 2.91345579 2.91345579 0.00000000 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba2InSr
P4/mmm
123
tetragonal
4/mmm
4,445.959706
false
[CIF] data_TlCr4B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83021647 _cell_length_b 4.83021647 _cell_length_c 4.83021647 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlCr4B _chemical_formula_sum 'Tl1 Cr4 B1' _cell_volume 79.68650609 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cr Cr1 1 4.28164523 4.28164523 2.54931241 1 Cr Cr2 1 2.54931241 2.54931241 2.54931241 1 Cr Cr3 1 4.28164523 2.54931241 4.28164523 1 Cr Cr4 1 2.54931241 4.28164523 4.28164523 1 Tl Tl5 1 5.12321823 5.12321823 5.12321823 1 [/CIF]
BCr4Tl
F-43m
216
cubic
-43m
8,818.365844
false
[CIF] data_ZrPdPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99658651 _cell_length_b 4.99658651 _cell_length_c 4.99658651 _cell_angle_alpha 132.34029181 _cell_angle_beta 132.34029181 _cell_angle_gamma 69.69210107 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrPdPt2 _chemical_formula_sum 'Zr1 Pd1 Pt2' _cell_volume 66.84508593 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.10064979 1 Pt Pt1 1 -0.00000000 2.01873079 2.05032490 1 Pt Pt2 1 2.01873079 -0.00000000 2.05032490 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PdPt2Zr
I4/mmm
139
tetragonal
4/mmm
14,602.192162
false
[CIF] data_LaTcPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62473291 _cell_length_b 5.60198411 _cell_length_c 3.61581922 _cell_angle_alpha 71.55329471 _cell_angle_beta 70.87075630 _cell_angle_gamma 37.57594900 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTcPt _chemical_formula_sum 'La1 Tc1 Pt1' _cell_volume 65.32276876 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.53167477 2.58162187 0.10213759 1 Pt Pt1 1 2.53167477 2.58162187 7.07745723 1 Tc Tc2 1 2.53167477 2.58162187 2.81497345 1 [/CIF]
LaPtTc
Fmm2
42
orthorhombic
mm2
11,004.435138
false
[CIF] data_FeCu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.09554357 _cell_length_b 9.99799980 _cell_length_c 2.42487113 _cell_angle_alpha 85.36285002 _cell_angle_beta 80.78566520 _cell_angle_gamma 13.85148478 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeCu4 _chemical_formula_sum 'Fe1 Cu4' _cell_volume 54.88000000 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.40000000 1.97989899 11.87939392 1 Cu Cu1 1 1.40000000 1.97989899 3.95979797 1 Cu Cu2 1 1.40000000 1.97989899 15.83919190 1 Cu Cu3 1 1.40000000 1.97989899 7.91959595 1 Fe Fe4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cu4Fe
Fmmm
69
orthorhombic
mmm
9,380.744648
false
[CIF] data_Ta2TlOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15325228 _cell_length_b 3.15325228 _cell_length_c 7.63531770 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2TlOs _chemical_formula_sum 'Ta2 Tl1 Os1' _cell_volume 75.91796344 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.02910249 1 Ta Ta1 1 1.57662614 1.57662614 7.42974128 1 Ta Ta2 1 0.00000000 0.00000000 1.71642171 1 Tl Tl3 1 1.57662614 1.57662614 3.91302878 1 [/CIF]
OsTa2Tl
P4mm
99
tetragonal
4mm
16,546.977703
false
[CIF] data_IrRhAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19533870 _cell_length_b 3.19533870 _cell_length_c 6.39455723 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural IrRhAu2 _chemical_formula_sum 'Ir1 Rh1 Au2' _cell_volume 65.28964050 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 1.59766935 1.59766935 1.59896204 1 Au Au1 1 1.59766935 1.59766935 4.79559519 1 Ir Ir2 1 0.00000000 0.00000000 3.19727862 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2IrRh
P4/mmm
123
tetragonal
4/mmm
17,525.043747
false
[CIF] data_ScAgRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95896953 _cell_length_b 4.95896953 _cell_length_c 4.95896953 _cell_angle_alpha 132.56268263 _cell_angle_beta 132.56268263 _cell_angle_gamma 69.34176955 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScAgRh2 _chemical_formula_sum 'Sc1 Ag1 Rh2' _cell_volume 64.91100089 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.99472539 0.00000000 2.03921064 1 Rh Rh1 1 0.00000000 0.00000000 4.07842127 1 Rh Rh2 1 0.00000000 1.99472539 2.03921063 1 Sc Sc3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
AgRh2Sc
I-4m2
119
tetragonal
-42m
9,174.525212
false
[CIF] data_LaMn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43058611 _cell_length_b 5.43058611 _cell_length_c 5.33155654 _cell_angle_alpha 116.25229384 _cell_angle_beta 116.25229384 _cell_angle_gamma 67.54027829 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMn2 _chemical_formula_sum 'La2 Mn4' _cell_volume 123.02908973 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 2.38659856 -2.08070693 3.38558704 1 La La1 1 3.80507056 2.08070693 1.12852901 1 Mn Mn2 1 3.69017740 0.52994483 3.61238192 1 Mn Mn3 1 1.08301972 0.52994483 3.15879216 1 Mn Mn4 1 5.10864940 -0.52994483 1.35532389 1 Mn Mn5 1 2.50149172 -0.52994483 0.90173414 1 [/CIF]
La2Mn4
C2/c
15
monoclinic
2/m
6,715.671884
false
[CIF] data_Co2TcRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.60081529 _cell_length_b 2.60081529 _cell_length_c 8.54860807 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 114.84281551 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2TcRu _chemical_formula_sum 'Co2 Tc1 Ru1' _cell_volume 52.47394636 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 1.40042454 0.00000000 8.45748093 1 Co Co1 1 0.00000000 0.00000000 6.49995424 1 Ru Ru2 1 1.40042454 0.00000000 4.34053651 1 Tc Tc3 1 0.00000000 0.00000000 2.07354849 1 [/CIF]
Co2RuTc
Cmm2
35
orthorhombic
mm2
10,058.135024
false
[CIF] data_BaCaRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05173368 _cell_length_b 5.05173368 _cell_length_c 3.58046038 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCaRu2 _chemical_formula_sum 'Ba1 Ca1 Ru2' _cell_volume 91.37339607 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.52586684 2.52586684 0.00000000 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 0.00000000 2.52586684 1.79023019 1 Ru Ru3 1 2.52586684 0.00000000 1.79023019 1 [/CIF]
BaCaRu2
P4/mmm
123
tetragonal
4/mmm
6,897.514235
false
[CIF] data_NbBOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.10968200 _cell_length_b 15.84685600 _cell_length_c 3.11639200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbBOs _chemical_formula_sum 'Nb12 B12 Os12' _cell_volume 449.88178462 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.29572568 7.85707721 1.55819600 1 Nb Nb1 1 1.81395632 7.98977879 1.55819600 1 Nb Nb2 1 2.74088468 0.06635079 1.55819600 1 Nb Nb3 1 6.36879732 15.78050521 1.55819600 1 Nb Nb4 1 4.70480459 9.40388883 1.55819600 1 Nb Nb5 1 4.40487741 6.44296717 1.55819600 1 Nb Nb6 1 0.14996359 14.36639517 1.55819600 1 Nb Nb7 1 8.95971841 1.48046083 1.55819600 1 Nb Nb8 1 6.25656604 3.21130198 1.55819600 1 Nb Nb9 1 2.85311596 12.63555402 1.55819600 1 Nb Nb10 1 1.70172504 4.71212602 1.55819600 1 Nb Nb11 1 7.40795696 11.13472998 1.55819600 1 B B12 1 5.53089788 7.87260713 0.00000000 1 B B13 1 3.57878412 7.97424887 0.00000000 1 B B14 1 0.97605688 0.05082087 0.00000000 1 B B15 1 8.13362512 15.79603513 0.00000000 1 B B16 1 5.56388404 13.19141419 1.55819600 1 B B17 1 3.54579796 2.65544181 1.55819600 1 B B18 1 1.00904304 10.57886981 1.55819600 1 B B19 1 8.10063896 5.26798619 1.55819600 1 B B20 1 6.51886111 9.47908216 0.00000000 1 B B21 1 2.59082089 6.36777384 0.00000000 1 B B22 1 1.96402011 14.29120184 0.00000000 1 B B23 1 7.14566189 1.55565416 0.00000000 1 Os Os24 1 6.54650900 5.63286005 0.00000000 1 Os Os25 1 2.56317300 10.21399595 0.00000000 1 Os Os26 1 1.99166800 2.29056795 0.00000000 1 Os Os27 1 7.11801400 13.55628805 0.00000000 1 Os Os28 1 4.69328084 1.49356618 0.00000000 1 Os Os29 1 4.41640116 14.35328982 0.00000000 1 Os Os30 1 0.13843984 6.42986182 0.00000000 1 Os Os31 1 8.97124216 9.41699418 0.00000000 1 Os Os32 1 5.11621604 11.64368346 0.00000000 1 Os Os33 1 3.99346596 4.20317254 0.00000000 1 Os Os34 1 0.56137504 12.12660054 0.00000000 1 Os Os35 1 8.54830696 3.72025546 0.00000000 1 [/CIF]
B12Nb12Os12
Pbam
55
orthorhombic
mmm
13,019.716504
false
[CIF] data_NaTcNiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61051968 _cell_length_b 4.61051968 _cell_length_c 4.61051968 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTcNiPb _chemical_formula_sum 'Na1 Tc1 Ni1 Pb1' _cell_volume 69.30022464 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 1.63006487 1.63006487 1.63006487 1 Pb Pb2 1 3.26012973 3.26012973 3.26012973 1 Tc Tc3 1 4.89019460 4.89019460 4.89019460 1 [/CIF]
NaNiPbTc
F-43m
216
cubic
-43m
9,292.024674
false
[CIF] data_TaSnP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27277038 _cell_length_b 3.28484239 _cell_length_c 6.68715724 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.83467480 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaSnP2 _chemical_formula_sum 'Ta1 Sn1 P2' _cell_volume 71.88288898 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 1.58548364 1.64242120 4.59708249 1 P P1 1 1.58987286 1.64242120 2.08936519 1 Sn Sn2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 -0.04870694 0.00000000 3.34322384 1 [/CIF]
P2SnTa
P2/m
10
monoclinic
2/m
8,353.30784
false
[CIF] data_YCoNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19615408 _cell_length_b 5.19615408 _cell_length_c 5.19615408 _cell_angle_alpha 143.57541566 _cell_angle_beta 143.57541566 _cell_angle_gamma 52.46266953 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCoNi _chemical_formula_sum 'Y1 Co1 Ni1' _cell_volume 49.17159202 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.96923844 1 Ni Ni1 1 0.00000000 -0.00000000 3.46859879 1 Y Y2 1 0.00000000 0.00000000 6.20631223 1 [/CIF]
CoNiY
I4mm
107
tetragonal
4mm
6,974.661169
false
[CIF] data_BaPtAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66722400 _cell_length_b 3.66722400 _cell_length_c 7.09795172 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaPtAu2 _chemical_formula_sum 'Ba1 Pt1 Au2' _cell_volume 95.45702963 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.90625599 1 Au Au1 1 1.83361200 1.83361200 1.45528573 1 Ba Ba2 1 0.00000000 0.00000000 3.59278633 1 Pt Pt3 1 1.83361200 1.83361200 5.79055125 1 [/CIF]
Au2BaPt
P4mm
99
tetragonal
4mm
12,636.343474
false
[CIF] data_TaTiTcSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62361035 _cell_length_b 4.62361035 _cell_length_c 4.62361035 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTiTcSn _chemical_formula_sum 'Ta1 Ti1 Tc1 Sn1' _cell_volume 69.89219550 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.63469311 1.63469311 1.63469311 1 Ta Ta1 1 3.26938623 3.26938623 3.26938623 1 Tc Tc2 1 4.90407935 4.90407935 4.90407934 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
SnTaTcTi
F-43m
216
cubic
-43m
10,606.566921
false
[CIF] data_FeSiSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98151857 _cell_length_b 3.98151857 _cell_length_c 3.98151857 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeSiSe _chemical_formula_sum 'Fe1 Si1 Se1' _cell_volume 44.63044724 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.40767939 1.40767939 1.40767939 1 Se Se1 1 2.81535878 2.81535878 2.81535878 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FeSeSi
F-43m
216
cubic
-43m
6,060.571998
false
[CIF] data_Al2NiBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06198439 _cell_length_b 3.06198439 _cell_length_c 7.23246313 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2NiBr _chemical_formula_sum 'Al2 Ni1 Br1' _cell_volume 67.80975443 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.53099219 1.53099219 1.37874412 1 Al Al1 1 1.53099219 1.53099219 5.85371901 1 Br Br2 1 0.00000000 0.00000000 3.61623157 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2BrNi
P4/mmm
123
tetragonal
4/mmm
4,715.460188
false
[CIF] data_BaNi2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32660597 _cell_length_b 3.95996233 _cell_length_c 6.55747574 _cell_angle_alpha 90.00000000 _cell_angle_beta 97.33162976 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNi2W _chemical_formula_sum 'Ba1 Ni2 W1' _cell_volume 85.67690835 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.30255593 0.00000000 5.09278503 1 Ni Ni1 1 2.87200589 1.97998117 0.48852816 1 Ni Ni2 1 2.66692349 0.00000000 2.01741459 1 W W3 1 1.21980917 1.97998117 2.15706632 1 [/CIF]
BaNi2W
Pm
6
monoclinic
m
8,499.78987
false
[CIF] data_Cu2SbW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12380757 _cell_length_b 3.12380757 _cell_length_c 6.54568893 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2SbW _chemical_formula_sum 'Cu2 Sb1 W1' _cell_volume 63.87396979 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.10293155 1 Cu Cu1 1 1.56190378 1.56190378 1.31079149 1 Sb Sb2 1 0.00000000 0.00000000 3.25157202 1 W W3 1 1.56190378 1.56190378 5.15323834 1 [/CIF]
Cu2SbW
P4mm
99
tetragonal
4mm
11,248.744554
false
[CIF] data_Na2YCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39629314 _cell_length_b 5.39629314 _cell_length_c 5.39629314 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2YCd _chemical_formula_sum 'Na2 Y1 Cd1' _cell_volume 111.11472150 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.72363321 5.72363321 5.72363321 1 Na Na1 1 1.90787774 1.90787774 1.90787774 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 3.81575547 3.81575547 3.81575547 1 [/CIF]
CdNa2Y
F-43m
216
cubic
-43m
3,695.687742
false
[CIF] data_CaInMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84028155 _cell_length_b 4.84028155 _cell_length_c 4.84028155 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaInMo2 _chemical_formula_sum 'Ca1 In1 Mo2' _cell_volume 80.18569112 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 In In1 1 3.42259591 3.42259591 3.42259591 1 Mo Mo2 1 5.13389387 5.13389387 5.13389387 1 Mo Mo3 1 1.71129796 1.71129795 1.71129796 1 [/CIF]
CaInMo2
Fm-3m
225
cubic
m-3m
7,182.098313
false
[CIF] data_Li2MnBe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91675395 _cell_length_b 2.91675395 _cell_length_c 5.56985142 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2MnBe _chemical_formula_sum 'Li2 Mn1 Be1' _cell_volume 47.38525254 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Li Li1 1 1.45837697 1.45837697 1.25431862 1 Li Li2 1 1.45837697 1.45837697 4.31553280 1 Mn Mn3 1 0.00000000 0.00000000 2.78492571 1 [/CIF]
BeLi2Mn
P4/mmm
123
tetragonal
4/mmm
2,727.503741
false
[CIF] data_SrLaHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.40940411 _cell_length_b 9.40940411 _cell_length_c 9.40940411 _cell_angle_alpha 25.87000010 _cell_angle_beta 25.87000010 _cell_angle_gamma 25.87000010 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLaHg2 _chemical_formula_sum 'Sr1 La1 Hg2' _cell_volume 139.68798729 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 20.53476154 1 Hg Hg1 1 0.00000000 -0.00000000 6.73420162 1 La La2 1 -0.00000000 0.00000000 13.63448158 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hg2LaSr
R-3m
166
trigonal
-3m
7,461.84031
false
[CIF] data_V2FeIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09181728 _cell_length_b 4.10902977 _cell_length_c 4.15073640 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2FeIr _chemical_formula_sum 'V2 Fe1 Ir1' _cell_volume 52.73248787 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.54590864 2.05451489 0.00000000 1 Ir Ir1 1 0.00000000 2.05451489 2.07536820 1 V V2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 1.54590864 0.00000000 2.07536820 1 [/CIF]
FeIrV2
Pmmm
47
orthorhombic
mmm
11,019.721752
false
[CIF] data_BeSi2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.74257452 _cell_length_b 2.74257452 _cell_length_c 7.04835304 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.67071533 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeSi2Pt _chemical_formula_sum 'Be1 Si2 Pt1' _cell_volume 52.99316550 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 0.00000000 0.00000000 3.52417652 1 Si Si2 1 1.91081354 -0.00000000 5.40412826 1 Si Si3 1 1.91081354 -0.00000000 1.64422478 1 [/CIF]
BePtSi2
Cmmm
65
orthorhombic
mmm
8,155.463433
false
[CIF] data_BaCoW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63924835 _cell_length_b 4.63924835 _cell_length_c 4.63924835 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCoW2 _chemical_formula_sum 'Ba1 Co1 W2' _cell_volume 70.60376632 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.28044397 3.28044397 3.28044397 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 1.64022199 1.64022199 1.64022199 1 W W3 1 4.92066596 4.92066596 4.92066596 1 [/CIF]
BaCoW2
Fm-3m
225
cubic
m-3m
13,263.382024
false
[CIF] data_MgTl2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.87716229 _cell_length_b 5.87716229 _cell_length_c 3.68487682 _cell_angle_alpha 97.47865226 _cell_angle_beta 97.47865226 _cell_angle_gamma 107.38680814 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTl2Br _chemical_formula_sum 'Mg1 Tl2 Br1' _cell_volume 118.49300227 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.47990278 -0.00000000 0.00000000 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 1.33494642 2.36808536 1.79737316 1 Tl Tl3 1 1.33494642 -2.36808536 1.79737316 1 [/CIF]
BrMgTl2
C2/m
12
monoclinic
2/m
7,188.745391
false
[CIF] data_KCoTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.29583184 _cell_length_b 7.29583184 _cell_length_c 7.29583184 _cell_angle_alpha 156.99746487 _cell_angle_beta 156.99746487 _cell_angle_gamma 32.75676555 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCoTc _chemical_formula_sum 'K1 Co1 Tc1' _cell_volume 59.25137908 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.49641712 1 K K1 1 0.00000000 -0.00000000 4.79253639 1 Tc Tc2 1 0.00000000 0.00000000 8.71058675 1 [/CIF]
CoKTc
I4mm
107
tetragonal
4mm
5,519.242612
false
[CIF] data_LiCaHfMg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17791700 _cell_length_b 5.17791700 _cell_length_c 5.17791700 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCaHfMg _chemical_formula_sum 'Li1 Ca1 Hf1 Mg1' _cell_volume 98.16354976 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.49201033 5.49201033 5.49201033 1 Hf Hf1 1 1.83067011 1.83067011 1.83067011 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Mg Mg3 1 3.66134022 3.66134022 3.66134022 1 [/CIF]
CaHfLiMg
F-43m
216
cubic
-43m
4,225.864971
false
[CIF] data_TlNiRuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55647609 _cell_length_b 4.55647609 _cell_length_c 4.55647609 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlNiRuAu _chemical_formula_sum 'Tl1 Ni1 Ru1 Au1' _cell_volume 66.89170850 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.22191514 3.22191514 3.22191514 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 4.83287271 4.83287271 4.83287271 1 Tl Tl3 1 1.61095757 1.61095757 1.61095757 1 [/CIF]
AuNiRuTl
F-43m
216
cubic
-43m
13,929.237642
false
[CIF] data_HfMnRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.57843698 _cell_length_b 5.57843698 _cell_length_c 5.57843698 _cell_angle_alpha 148.48251313 _cell_angle_beta 148.48251313 _cell_angle_gamma 45.17358136 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMnRe _chemical_formula_sum 'Hf1 Mn1 Re1' _cell_volume 47.28885825 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.00000000 -0.00000000 0.03853271 1 Mn Mn1 1 0.00000000 -0.00000000 7.03892966 1 Re Re2 1 0.00000000 0.00000000 3.22366587 1 [/CIF]
HfMnRe
I4mm
107
tetragonal
4mm
14,735.46766
false
[CIF] data_TaInFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.89380380 _cell_length_b 5.89380380 _cell_length_c 5.89380380 _cell_angle_alpha 150.49537918 _cell_angle_beta 150.49537918 _cell_angle_gamma 42.21472330 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaInFe _chemical_formula_sum 'Ta1 In1 Fe1' _cell_volume 49.53839854 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.14611815 1 In In1 1 0.00000000 -0.00000000 3.80389930 1 Ta Ta2 1 0.00000000 0.00000000 7.04672741 1 [/CIF]
FeInTa
I4mm
107
tetragonal
4mm
11,786.081498
false
[CIF] data_Fe5Cu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71054145 _cell_length_b 4.71054145 _cell_length_c 4.91999998 _cell_angle_alpha 105.13632045 _cell_angle_beta 105.13632045 _cell_angle_gamma 117.03569298 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe5Cu3 _chemical_formula_sum 'Fe5 Cu3' _cell_volume 84.21322877 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 0.64234375 1.04894924 2.13042000 1 Cu Cu2 1 2.35526654 0.00000256 0.71014000 1 Fe Fe3 1 1.28469029 2.09789677 0.00000000 1 Fe Fe4 1 1.92703962 3.14684259 2.13042000 1 Fe Fe5 1 -1.07057904 2.09789592 0.71014000 1 Fe Fe6 1 -1.71292558 1.04894839 2.84056000 1 Fe Fe7 1 1.71292000 -1.04894497 2.84056000 1 [/CIF]
Cu3Fe5
P1
1
triclinic
1
9,264.88485
false
[CIF] data_LiIrBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34900635 _cell_length_b 3.34900635 _cell_length_c 6.79344412 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiIrBr2 _chemical_formula_sum 'Li1 Ir1 Br2' _cell_volume 76.19420630 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67450317 1.67450317 1.71602059 1 Br Br1 1 1.67450317 1.67450317 5.07742353 1 Ir Ir2 1 0.00000000 0.00000000 3.39672206 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br2IrLi
P4/mmm
123
tetragonal
4/mmm
7,823.128497
false
[CIF] data_Na2Ti _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.97599464 _cell_length_b 8.97599464 _cell_length_c 8.97599464 _cell_angle_alpha 161.11183251 _cell_angle_beta 161.11183251 _cell_angle_gamma 26.83573116 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2Ti _chemical_formula_sum 'Na2 Ti1' _cell_volume 75.75755640 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.47513159 1 Na Na1 1 -0.00000000 0.00000000 5.98683245 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Na2Ti
I4/mmm
139
tetragonal
4/mmm
2,057.03366
false
[CIF] data_LaGaCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01897954 _cell_length_b 5.01897954 _cell_length_c 5.01897954 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaGaCl _chemical_formula_sum 'La1 Ga1 Cl1' _cell_volume 89.39871553 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 1.77447724 1.77447724 1.77447724 1 La La2 1 3.54895447 3.54895447 3.54895447 1 [/CIF]
ClGaLa
F-43m
216
cubic
-43m
4,533.698431
false
[CIF] data_Zn2GaTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44122879 _cell_length_b 4.44122879 _cell_length_c 5.76749476 _cell_angle_alpha 105.76834577 _cell_angle_beta 105.76834577 _cell_angle_gamma 51.00121130 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2GaTe _chemical_formula_sum 'Zn2 Ga1 Te1' _cell_volume 84.30810515 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Te Te1 1 3.14033015 -0.00000000 2.74993869 1 Zn Zn2 1 5.62081720 -0.00000000 1.11740486 1 Zn Zn3 1 0.65984311 0.00000000 4.38247251 1 [/CIF]
GaTeZn2
C2/m
12
monoclinic
2/m
6,461.948559
false
[CIF] data_ZrTlHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12663512 _cell_length_b 5.12663512 _cell_length_c 5.12663512 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTlHg2 _chemical_formula_sum 'Zr1 Tl1 Hg2' _cell_volume 95.27571746 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.43761769 5.43761769 5.43761769 1 Hg Hg1 1 1.81253923 1.81253923 1.81253923 1 Tl Tl2 1 3.62507846 3.62507846 3.62507846 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hg2TlZr
Fm-3m
225
cubic
m-3m
12,144.14925
false
[CIF] data_MnRe2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.67919098 _cell_length_b 4.36870005 _cell_length_c 5.13855842 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.23803088 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnRe2W _chemical_formula_sum 'Mn1 Re2 W1' _cell_volume 59.18704445 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.01130826 0.00000000 3.79984932 1 Re Re1 1 -0.90573391 2.18435003 5.02961988 1 Re Re2 1 1.77219707 0.00000000 1.25153988 1 W W3 1 0.88033915 2.18435003 2.56084470 1 [/CIF]
MnRe2W
Pm
6
monoclinic
m
17,147.473359
false
[CIF] data_Na2TlSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49198771 _cell_length_b 5.49198771 _cell_length_c 5.49198771 _cell_angle_alpha 126.45991902 _cell_angle_beta 126.45991902 _cell_angle_gamma 79.13353848 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2TlSe _chemical_formula_sum 'Na2 Tl1 Se1' _cell_volume 103.62260917 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Na Na0 1 0.00000000 2.47365032 2.11683946 1 Na Na1 1 2.47365032 0.00000000 2.11683946 1 Se Se2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 0.00000000 0.00000000 4.23367892 1 [/CIF]
Na2SeTl
I4/mmm
139
tetragonal
4/mmm
5,277.356393
false
[CIF] data_BaTe2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.83753806 _cell_length_b 5.83753806 _cell_length_c 5.83753806 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTe2Pb _chemical_formula_sum 'Ba1 Te2 Pb1' _cell_volume 140.66115471 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 4.12776275 4.12776275 4.12776275 1 Te Te2 1 2.06388137 2.06388138 2.06388137 1 Te Te3 1 6.19164412 6.19164412 6.19164412 1 [/CIF]
BaPbTe2
Fm-3m
225
cubic
m-3m
7,079.922775
false
[CIF] data_CaTlHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10113733 _cell_length_b 5.10113733 _cell_length_c 5.10113733 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTlHg _chemical_formula_sum 'Ca1 Tl1 Hg1' _cell_volume 93.86118860 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 3.60704880 3.60704880 3.60704880 1 Tl Tl2 1 5.41057320 5.41057320 5.41057320 1 [/CIF]
CaHgTl
F-43m
216
cubic
-43m
7,873.595906
false
[CIF] data_Ba2YHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.17879575 _cell_length_b 6.17879575 _cell_length_c 4.17231762 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2YHg _chemical_formula_sum 'Ba2 Y1 Hg1' _cell_volume 159.28872653 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.08939787 2.08615881 1 Ba Ba1 1 3.08939787 0.00000000 2.08615881 1 Hg Hg2 1 3.08939787 3.08939787 0.00000000 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba2HgY
P4/mmm
123
tetragonal
4/mmm
5,881.099596
false
[CIF] data_Sc3TaSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92770704 _cell_length_b 4.92770704 _cell_length_c 4.92770704 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3TaSe _chemical_formula_sum 'Sc3 Ta1 Se1' _cell_volume 119.65604426 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sc Sc0 1 0.00000000 2.46385352 0.00000000 1 Sc Sc1 1 0.00000000 0.00000000 2.46385352 1 Sc Sc2 1 2.46385352 0.00000000 0.00000000 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 Ta Ta4 1 2.46385352 2.46385352 2.46385352 1 [/CIF]
Sc3SeTa
Pm-3m
221
cubic
m-3m
5,478.539233
false
[CIF] data_BaSe2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.70241762 _cell_length_b 5.70241762 _cell_length_c 5.70241762 _cell_angle_alpha 132.52963436 _cell_angle_beta 113.50698138 _cell_angle_gamma 85.70841571 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSe2Cl _chemical_formula_sum 'Ba1 Se2 Cl1' _cell_volume 119.98903606 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.29527994 0.00000000 4.10017545 1 Cl Cl1 1 0.00000000 0.00000000 2.08371326 1 Se Se2 1 0.00000000 3.12630643 3.70295585 1 Se Se3 1 0.00000000 0.00000000 6.83462180 1 [/CIF]
BaClSe2
Imm2
44
orthorhombic
mm2
4,576.587056
false
[CIF] data_LaTaCrPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72635623 _cell_length_b 4.72635623 _cell_length_c 4.72635623 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTaCrPd _chemical_formula_sum 'La1 Ta1 Cr1 Pd1' _cell_volume 74.65593812 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 0.00000000 1 La La1 1 3.34203854 3.34203854 3.34203854 1 Pd Pd2 1 1.67101927 1.67101927 1.67101927 1 Ta Ta3 1 5.01305781 5.01305781 5.01305781 1 [/CIF]
CrLaPdTa
F-43m
216
cubic
-43m
10,637.936193
false
[CIF] data_MnPt2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.89032542 _cell_length_b 8.89032542 _cell_length_c 8.89032542 _cell_angle_alpha 17.66735348 _cell_angle_beta 17.66735348 _cell_angle_gamma 17.66735348 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnPt2Rh _chemical_formula_sum 'Mn1 Pt2 Rh1' _cell_volume 56.49368855 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 -0.00000000 -0.00000000 -0.00000000 1 Pt Pt1 1 0.00000000 0.00000000 6.67786905 1 Pt Pt2 1 0.00000000 0.00000000 19.57044205 1 Rh Rh3 1 0.00000000 0.00000000 13.12415555 1 [/CIF]
MnPt2Rh
R-3m
166
trigonal
-3m
16,107.898106
false
[CIF] data_ZnCdRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24471076 _cell_length_b 4.24471076 _cell_length_c 4.24471076 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCdRh _chemical_formula_sum 'Zn1 Cd1 Rh1' _cell_volume 54.07908161 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.50219564 4.50219564 4.50219564 1 Rh Rh1 1 1.50073188 1.50073188 1.50073188 1 Zn Zn2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdRhZn
F-43m
216
cubic
-43m
8,618.998145
false
[CIF] data_Be3CdCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31123758 _cell_length_b 4.31123758 _cell_length_c 4.31123758 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be3CdCo _chemical_formula_sum 'Be3 Cd1 Co1' _cell_volume 80.13197904 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.15561879 0.00000000 2.15561879 1 Be Be1 1 2.15561879 2.15561879 0.00000000 1 Be Be2 1 0.00000000 2.15561879 2.15561879 1 Co Co3 1 0.00000000 0.00000000 0.00000000 1 Cd Cd4 1 2.15561879 2.15561879 2.15561879 1 [/CIF]
Be3CdCo
Pm-3m
221
cubic
m-3m
4,110.955133
false
[CIF] data_KCdCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.33376533 _cell_length_b 7.33376533 _cell_length_c 7.33376533 _cell_angle_alpha 147.03332868 _cell_angle_beta 147.03332868 _cell_angle_gamma 47.31443620 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCdCl _chemical_formula_sum 'K1 Cd1 Cl1' _cell_volume 116.34534061 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 13.37791964 1 Cl Cl1 1 -0.00000000 0.00000000 3.82362937 1 K K2 1 -0.00000000 -0.00000000 9.66826611 1 [/CIF]
CdClK
I4mm
107
tetragonal
4mm
2,668.419736
false
[CIF] data_CaTaFePd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59312827 _cell_length_b 4.59312827 _cell_length_c 4.59312827 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTaFePd _chemical_formula_sum 'Ca1 Ta1 Fe1 Pd1' _cell_volume 68.51895413 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1 Fe Fe1 1 4.87174822 4.87174822 4.87174822 1 Pd Pd2 1 1.62391608 1.62391608 1.62391608 1 Ta Ta3 1 3.24783215 3.24783215 3.24783215 1 [/CIF]
CaFePdTa
F-43m
216
cubic
-43m
9,288.954979
false
[CIF] data_Sr2TlSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.63122330 _cell_length_b 5.63122330 _cell_length_c 5.63122330 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2TlSi _chemical_formula_sum 'Sr2 Tl1 Si1' _cell_volume 126.26798472 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Si Si0 1 0.00000000 0.00000000 0.00000000 1 Sr Sr1 1 3.98187618 3.98187618 3.98187618 1 Sr Sr2 1 1.99093809 1.99093809 1.99093809 1 Tl Tl3 1 5.97281427 5.97281427 5.97281427 1 [/CIF]
SiSr2Tl
F-43m
216
cubic
-43m
5,361.742263
false
[CIF] data_ScInO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02410161 _cell_length_b 4.02410161 _cell_length_c 4.02410161 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScInO3 _chemical_formula_sum 'Sc1 In1 O3' _cell_volume 65.16386179 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.01205080 2.01205080 2.01205080 1 O O1 1 0.00000000 2.01205080 0.00000000 1 O O2 1 2.01205080 0.00000000 0.00000000 1 O O3 1 0.00000000 0.00000000 2.01205080 1 Sc Sc4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InO3Sc
Pm-3m
221
cubic
m-3m
5,294.555901
false
[CIF] data_FeTeBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35922329 _cell_length_b 3.35922329 _cell_length_c 8.64246949 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeTeBr2 _chemical_formula_sum 'Fe1 Te1 Br2' _cell_volume 97.52491947 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.37136784 1 Br Br1 1 1.67961165 1.67961165 2.82323594 1 Fe Fe2 1 0.00000000 0.00000000 4.37676054 1 Te Te3 1 1.67961165 1.67961165 6.03480932 1 [/CIF]
Br2FeTe
P4mm
99
tetragonal
4mm
5,844.506402
false
[CIF] data_Sc(TeO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.82941768 _cell_length_b 6.82941768 _cell_length_c 6.82941768 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc(TeO2)2 _chemical_formula_sum 'Sc2 Te4 O8' _cell_volume 225.23507673 _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 O O0 1 3.57763040 3.57763040 3.57763040 1 O O1 1 3.57763040 6.08062471 6.08062471 1 O O2 1 6.08062471 3.57763040 6.08062471 1 O O3 1 5.99219418 5.99219418 8.49518848 1 O O4 1 6.08062471 6.08062471 3.57763040 1 O O5 1 5.99219418 8.49518848 5.99219418 1 O O6 1 8.49518848 8.49518848 8.49518848 1 O O7 1 8.49518848 5.99219418 5.99219418 1 Sc Sc8 1 0.00000000 0.00000000 0.00000000 1 Sc Sc9 1 2.41456378 2.41456378 2.41456378 1 Te Te10 1 3.62184567 3.62184567 6.03640944 1 Te Te11 1 3.62184567 6.03640944 3.62184567 1 Te Te12 1 6.03640944 3.62184566 3.62184567 1 Te Te13 1 6.03640944 6.03640944 6.03640944 1 [/CIF]
O8Sc2Te4
Fd-3m
227
cubic
m-3m
5,369.425026
false
[CIF] data_TiCoSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29731149 _cell_length_b 5.29731149 _cell_length_c 5.29731149 _cell_angle_alpha 149.57840633 _cell_angle_beta 149.57840633 _cell_angle_gamma 43.56061051 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCoSi _chemical_formula_sum 'Ti1 Co1 Si1' _cell_volume 38.00959276 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.66016776 1 Si Si1 1 -0.00000000 0.00000000 3.46493206 1 Ti Ti2 1 0.00000000 0.00000000 6.55151846 1 [/CIF]
CoSiTi
I4mm
107
tetragonal
4mm
5,892.800996
false
[CIF] data_VBi2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80841440 _cell_length_b 4.80841440 _cell_length_c 3.43210058 _cell_angle_alpha 91.44565673 _cell_angle_beta 91.44565673 _cell_angle_gamma 91.06544631 _symmetry_Int_Tables_number 1 _chemical_formula_structural VBi2Ir _chemical_formula_sum 'V1 Bi2 Ir1' _cell_volume 79.28788760 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62234737 -1.71576401 1.71493698 1 Bi Bi1 1 1.62234737 1.71576401 1.71493698 1 Ir Ir2 1 3.36830291 -0.00000000 0.00000000 1 V V3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
Bi2IrV
C2/m
12
monoclinic
2/m
13,845.928534
false
[CIF] data_TcSbPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36591508 _cell_length_b 3.36591508 _cell_length_c 8.56355053 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.52178091 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcSbPb2 _chemical_formula_sum 'Tc1 Sb1 Pb2' _cell_volume 96.98553662 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.34824512 0.00000000 8.08437226 1 Pb Pb1 1 0.00000000 0.00000000 2.21393292 1 Sb Sb2 1 2.34824512 0.00000000 4.84859325 1 Tc Tc3 1 0.00000000 0.00000000 6.26197789 1 [/CIF]
Pb2SbTc
Cmm2
35
orthorhombic
mm2
10,873.29381
false
[CIF] data_PdPtPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95851517 _cell_length_b 3.95851517 _cell_length_c 4.55025756 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PdPtPb _chemical_formula_sum 'Pd1 Pt1 Pb1' _cell_volume 61.74918638 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 1.97925761 1.14272489 4.53308102 1 Pd Pd1 1 0.00000000 0.00000000 1.58971598 1 Pt Pt2 1 0.00000002 2.28544979 2.97771812 1 [/CIF]
PbPdPt
P3m1
156
trigonal
3m
13,679.902748
false
[CIF] data_VZnFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04951397 _cell_length_b 4.04951397 _cell_length_c 4.04951397 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VZnFe2 _chemical_formula_sum 'V1 Zn1 Fe2' _cell_volume 46.95628256 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.43171940 1.43171940 1.43171940 1 Fe Fe1 1 4.29515819 4.29515819 4.29515819 1 V V2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 2.86343879 2.86343879 2.86343879 1 [/CIF]
Fe2VZn
Fm-3m
225
cubic
m-3m
8,063.287439
false
[CIF] data_NaLaMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01592132 _cell_length_b 4.01592132 _cell_length_c 5.14753514 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLaMo2 _chemical_formula_sum 'Na1 La1 Mo2' _cell_volume 83.01751151 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.00796066 2.00796066 0.00000000 1 Mo Mo1 1 2.00796066 0.00000000 2.57376757 1 Mo Mo2 1 0.00000000 2.00796066 2.57376757 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaMo2Na
P4/mmm
123
tetragonal
4/mmm
7,077.109594
false
[CIF] data_Al2AsIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04315008 _cell_length_b 4.31062389 _cell_length_c 4.85630983 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2AsIr _chemical_formula_sum 'Al2 As1 Ir1' _cell_volume 63.70446743 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Al Al1 1 1.52157504 0.00000000 2.42815491 1 As As2 1 1.52157504 2.15531194 0.00000000 1 Ir Ir3 1 0.00000000 2.15531194 2.42815491 1 [/CIF]
Al2AsIr
Pmmm
47
orthorhombic
mmm
8,369.929157
false
[CIF] data_EuSc2O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.46318090 _cell_length_b 6.46318090 _cell_length_c 6.46318090 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural EuSc2O4 _chemical_formula_sum 'Eu2 Sc4 O8' _cell_volume 190.90791632 _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 Eu Eu0 1 0.00000000 0.00000000 0.00000000 1 Eu Eu1 1 2.28507952 2.28507952 2.28507952 1 O O2 1 3.59096684 3.59096684 3.59096684 1 O O3 1 3.59096684 5.54935125 5.54935125 1 O O4 1 5.54935125 3.59096684 5.54935125 1 O O5 1 5.87604636 5.87604636 7.83443077 1 O O6 1 5.54935125 5.54935125 3.59096684 1 O O7 1 5.87604636 7.83443077 5.87604636 1 O O8 1 7.83443077 7.83443077 7.83443077 1 O O9 1 7.83443077 5.87604636 5.87604636 1 Sc Sc10 1 3.42761928 3.42761928 5.71269880 1 Sc Sc11 1 5.71269880 3.42761928 3.42761928 1 Sc Sc12 1 5.71269880 5.71269880 5.71269880 1 Sc Sc13 1 3.42761928 5.71269880 3.42761928 1 [/CIF]
Eu2O8Sc4
Fd-3m
227
cubic
m-3m
5,321.044705
false
[CIF] data_Be4In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.74790736 _cell_length_b 6.74790736 _cell_length_c 6.74790736 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be4In _chemical_formula_sum 'Be16 In4' _cell_volume 236.52957093 _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 Be Be0 1 3.12553865 3.12553865 3.12553865 1 Be Be1 1 -0.77036748 0.77036748 0.77036748 1 Be Be2 1 0.77036748 -0.77036748 0.77036748 1 Be Be3 1 0.77036748 0.77036748 -0.77036748 1 Be Be4 1 -0.00000000 0.00000000 4.94652386 1 Be Be5 1 0.00000000 -0.00000000 2.84528840 1 Be Be6 1 -0.00000000 4.94652386 0.00000000 1 Be Be7 1 0.00000000 2.84528840 -0.00000000 1 Be Be8 1 4.94652386 -0.00000000 0.00000000 1 Be Be9 1 2.84528840 0.00000000 -0.00000000 1 Be Be10 1 3.89590613 0.00000000 1.94795307 1 Be Be11 1 -0.00000000 3.89590613 1.94795307 1 Be Be12 1 0.00000000 1.94795307 3.89590613 1 Be Be13 1 3.89590613 1.94795307 0.00000000 1 Be Be14 1 1.94795307 3.89590613 0.00000000 1 Be Be15 1 1.94795307 0.00000000 3.89590613 1 In In16 1 1.66008557 1.66008557 1.66008557 1 In In17 1 -2.23582056 2.23582056 2.23582056 1 In In18 1 2.23582056 -2.23582056 2.23582056 1 In In19 1 2.23582056 2.23582056 -2.23582056 1 [/CIF]
Be16In4
I-43m
217
cubic
-43m
4,236.596629
false
[CIF] data_KMnHgRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72434252 _cell_length_b 4.72434252 _cell_length_c 4.72434252 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMnHgRu _chemical_formula_sum 'K1 Mn1 Hg1 Ru1' _cell_volume 74.56055497 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67030732 1.67030732 1.67030732 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Mn Mn2 1 5.01092194 5.01092194 5.01092194 1 Ru Ru3 1 3.34061463 3.34061463 3.34061463 1 [/CIF]
HgKMnRu
F-43m
216
cubic
-43m
8,812.558325
false
[CIF] data_Cu5Sn7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.50889605 _cell_length_b 7.50889605 _cell_length_c 7.50889605 _cell_angle_alpha 99.36560813 _cell_angle_beta 99.36560813 _cell_angle_gamma 132.41785797 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu5Sn7 _chemical_formula_sum 'Cu5 Sn7' _cell_volume 285.99646593 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.20652271 1 Cu Cu1 1 2.41671428 -2.41671428 3.13284774 1 Cu Cu2 1 -2.41671428 2.41671428 3.13284774 1 Cu Cu3 1 2.41671428 2.41671428 3.13284774 1 Cu Cu4 1 2.44168148 2.44168148 0.10373877 1 Sn Sn5 1 -0.00000000 0.00000000 3.75834969 1 Sn Sn6 1 4.85839576 0.00000000 0.07452523 1 Sn Sn7 1 -0.00000000 4.85839576 0.07452523 1 Sn Sn8 1 -0.00000000 2.28712333 1.59397857 1 Sn Sn9 1 4.85839576 2.57127243 -1.43513040 1 Sn Sn10 1 2.57127243 4.85839576 -1.43513040 1 Sn Sn11 1 2.28712333 -0.00000000 1.59397857 1 [/CIF]
Cu5Sn7
I4mm
107
tetragonal
4mm
6,669.52726
false
[CIF] data_BaV2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81426586 _cell_length_b 4.81426586 _cell_length_c 4.81426586 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaV2Te _chemical_formula_sum 'Ba1 V2 Te1' _cell_volume 78.89967468 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.40420004 3.40420004 3.40420004 1 Te Te1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 1.70210002 1.70210002 1.70210002 1 V V3 1 5.10630006 5.10630006 5.10630006 1 [/CIF]
BaTeV2
Fm-3m
225
cubic
m-3m
7,720.011204
false
[CIF] data_SrBe2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84845283 _cell_length_b 2.84845283 _cell_length_c 7.79659637 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrBe2W _chemical_formula_sum 'Sr1 Be2 W1' _cell_volume 63.25911552 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.28678595 1 Be Be1 1 1.42422641 1.42422641 1.25173497 1 Sr Sr2 1 0.00000000 0.00000000 3.69856373 1 W W3 1 1.42422641 1.42422641 6.45780991 1 [/CIF]
Be2SrW
P4mm
99
tetragonal
4mm
7,598.906366
false
[CIF] data_Na2LiP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92139897 _cell_length_b 4.92139897 _cell_length_c 4.92139897 _cell_angle_alpha 123.66961146 _cell_angle_beta 123.66961146 _cell_angle_gamma 83.75349747 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2LiP _chemical_formula_sum 'Na2 Li1 P1' _cell_volume 79.09530480 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Na Na1 1 2.32297565 0.00000000 1.83219377 1 Na Na2 1 -0.00000000 2.32297565 1.83219377 1 P P3 1 0.00000000 -0.00000000 3.66438754 1 [/CIF]
LiNa2P
I4/mmm
139
tetragonal
4/mmm
1,761.289926
false
[CIF] data_SnRu2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59580524 _cell_length_b 4.59580524 _cell_length_c 4.59580524 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnRu2Cl _chemical_formula_sum 'Sn1 Ru2 Cl1' _cell_volume 68.63882652 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ru Ru1 1 3.24972505 3.24972505 3.24972505 1 Ru Ru2 1 1.62486252 1.62486252 1.62486253 1 Sn Sn3 1 4.87458757 4.87458757 4.87458757 1 [/CIF]
ClRu2Sn
F-43m
216
cubic
-43m
8,619.830511
false
[CIF] data_Be3W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62276261 _cell_length_b 4.62276261 _cell_length_c 4.62276261 _cell_angle_alpha 116.89384831 _cell_angle_beta 116.89384831 _cell_angle_gamma 116.89384831 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be3W _chemical_formula_sum 'Be3 W1' _cell_volume 44.29651211 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 1.96965694 -1.13718197 0.82401996 1 Be Be1 1 -1.96965694 -1.13718197 0.82401996 1 Be Be2 1 -0.00000000 2.27436393 0.82401996 1 W W3 1 0.00000000 -0.00000000 -0.00000000 1 [/CIF]
Be3W
R-3m
166
trigonal
-3m
7,905.108689
false
[CIF] data_Sr4NbNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.74978067 _cell_length_b 6.74978067 _cell_length_c 6.74978067 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr4NbNi _chemical_formula_sum 'Sr4 Nb1 Ni1' _cell_volume 217.44728226 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.15922352 7.15922352 7.15922352 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 5.96365508 5.96365508 3.58197628 1 Sr Sr3 1 5.96365508 3.58197628 5.96365508 1 Sr Sr4 1 3.58197628 5.96365508 5.96365508 1 Sr Sr5 1 3.58197628 3.58197628 3.58197628 1 [/CIF]
NbNiSr4
F-43m
216
cubic
-43m
3,834.138926
false
[CIF] data_HfCoHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.30312618 _cell_length_b 9.30312618 _cell_length_c 9.30312618 _cell_angle_alpha 19.23208965 _cell_angle_beta 19.23208965 _cell_angle_gamma 19.23208965 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCoHg2 _chemical_formula_sum 'Hf1 Co1 Hg2' _cell_volume 76.36782138 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 0.00000000 0.00000000 13.69263444 1 Hg Hg2 1 0.00000000 0.00000000 7.08307930 1 Hg Hg3 1 0.00000000 0.00000000 20.30218958 1 [/CIF]
CoHfHg2
R-3m
166
trigonal
-3m
13,885.764105
false
[CIF] data_TiMn2Al _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02286079 _cell_length_b 3.02286079 _cell_length_c 5.77499020 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiMn2Al _chemical_formula_sum 'Ti1 Mn2 Al1' _cell_volume 52.77005493 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 1.51143040 1.51143040 1.45817521 1 Mn Mn2 1 1.51143040 1.51143040 4.31681499 1 Ti Ti3 1 0.00000000 0.00000000 2.88749510 1 [/CIF]
AlMn2Ti
P4/mmm
123
tetragonal
4/mmm
5,812.814248
false
[CIF] data_CuAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62953561 _cell_length_b 4.62953561 _cell_length_c 7.56000000 _cell_angle_alpha 114.09484255 _cell_angle_beta 114.09484255 _cell_angle_gamma 48.18968510 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuAg _chemical_formula_sum 'Cu4 Ag4' _cell_volume 108.02030400 _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 Ag Ag0 1 1.69046739 0.00000000 5.07140217 1 Ag Ag1 1 4.22616848 -0.00000000 4.22616848 1 Ag Ag2 1 0.84523370 0.00000000 2.53570109 1 Ag Ag3 1 3.38093478 0.00000000 1.69046739 1 Cu Cu4 1 -1.69046739 0.00000000 3.38093478 1 Cu Cu5 1 5.91663587 0.00000000 0.84523370 1 Cu Cu6 1 0.00000000 0.00000000 0.00000000 1 Cu Cu7 1 -0.84523370 -0.00000000 5.91663587 1 [/CIF]
Ag4Cu4
C2/m
12
monoclinic
2/m
10,540.239756
false
[CIF] data_NaZrNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44113642 _cell_length_b 4.44113642 _cell_length_c 4.44113642 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZrNi _chemical_formula_sum 'Na1 Zr1 Ni1' _cell_volume 61.93944990 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 1.57017884 1.57017884 1.57017884 1 Zr Zr2 1 3.14035768 3.14035768 3.14035768 1 [/CIF]
NaNiZr
F-43m
216
cubic
-43m
4,635.480456
false
[CIF] data_TaTcRhAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53034660 _cell_length_b 4.53034660 _cell_length_c 4.53034660 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTcRhAu _chemical_formula_sum 'Ta1 Tc1 Rh1 Au1' _cell_volume 65.74750700 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 1.60171940 1.60171940 1.60171940 1 Rh Rh1 1 4.80515820 4.80515820 4.80515820 1 Ta Ta2 1 3.20343880 3.20343880 3.20343880 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuRhTaTc
F-43m
216
cubic
-43m
14,641.740231
false
[CIF] data_ZrCrPdAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58986870 _cell_length_b 4.58986870 _cell_length_c 4.58986870 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCrPdAu _chemical_formula_sum 'Zr1 Cr1 Pd1 Au1' _cell_volume 68.37318129 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 1.62276364 1.62276364 1.62276364 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 3.24552728 3.24552728 3.24552728 1 Zr Zr3 1 4.86829092 4.86829092 4.86829092 1 [/CIF]
AuCrPdZr
F-43m
216
cubic
-43m
10,846.472363
false
[CIF] data_CaBeB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.55136053 _cell_length_b 3.10455384 _cell_length_c 5.63258325 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaBeB2 _chemical_formula_sum 'Ca1 Be1 B2' _cell_volume 44.61476892 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.27568027 1.55227692 4.78982133 1 B B1 1 1.27568027 1.55227692 0.84276192 1 Be Be2 1 0.00000000 0.00000000 0.00000000 1 Ca Ca3 1 0.00000000 0.00000000 2.81629162 1 [/CIF]
B2BeCa
Pmmm
47
orthorhombic
mmm
2,631.871543
false
[CIF] data_Sr2Co2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.76434992 _cell_length_b 8.76434992 _cell_length_c 8.76434992 _cell_angle_alpha 51.46404069 _cell_angle_beta 143.81602386 _cell_angle_gamma 144.67449030 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2Co2O5 _chemical_formula_sum 'Sr4 Co4 O10' _cell_volume 228.57135998 _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 Co Co0 1 3.94761450 -0.31412305 2.72874282 1 Co Co1 1 3.94761450 3.03583505 0.06951882 1 Co Co2 1 0.00000000 0.00000000 2.56124282 1 Co Co3 1 7.89522900 0.00000000 2.56124282 1 O O4 1 -0.09424550 1.37208695 1.24315282 1 O O5 1 0.09424550 4.07133705 1.24315282 1 O O6 1 7.98947450 1.37208695 1.24315282 1 O O7 1 -0.09424550 1.34962505 3.90237682 1 O O8 1 2.23488350 0.19452895 2.49627682 1 O O9 1 5.66034550 2.52718305 -0.16294718 1 O O10 1 5.66034550 0.19452895 2.49627682 1 O O11 1 2.23488350 2.52718305 -0.16294718 1 O O12 1 -3.94761450 2.06134095 1.95650282 1 O O13 1 3.94761450 3.38208305 1.95650282 1 Sr Sr14 1 -6.15353550 2.77325095 2.57750282 1 Sr Sr15 1 6.15353550 2.67017305 2.57750282 1 Sr Sr16 1 -1.74169350 2.77325095 2.57750282 1 Sr Sr17 1 1.74169350 2.67017305 2.57750282 1 [/CIF]
Co4O10Sr4
Ima2
46
orthorhombic
mm2
5,421.088233
false
[CIF] data_MgInPtPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96812462 _cell_length_b 4.96812462 _cell_length_c 4.96812462 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgInPtPb _chemical_formula_sum 'Mg1 In1 Pt1 Pb1' _cell_volume 86.70865428 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.51299461 3.51299461 3.51299461 1 Mg Mg1 1 -0.00000000 -0.00000000 0.00000000 1 Pb Pb2 1 5.26949191 5.26949192 5.26949192 1 Pt Pt3 1 1.75649730 1.75649730 1.75649731 1 [/CIF]
InMgPbPt
F-43m
216
cubic
-43m
10,368.370745
false