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_HfZrScCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82676698 _cell_length_b 4.82676698 _cell_length_c 4.82676698 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZrScCu _chemical_formula_sum 'Hf1 Zr1 Sc1 Cu1' _cell_volume 79.51590392 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.11955949 5.11955949 5.11955949 1 Hf Hf1 1 1.70651983 1.70651983 1.70651983 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 3.41303966 3.41303966 3.41303966 1 [/CIF]
CuHfScZr
F-43m
216
cubic
-43m
7,898.323059
false
[CIF] data_ScSi2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68938762 _cell_length_b 4.68938762 _cell_length_c 4.68938762 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScSi2As _chemical_formula_sum 'Sc1 Si2 As1' _cell_volume 72.91777368 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.31589779 3.31589779 3.31589779 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Si Si2 1 1.65794889 1.65794889 1.65794889 1 Si Si3 1 4.97384668 4.97384668 4.97384668 1 [/CIF]
AsScSi2
Fm-3m
225
cubic
m-3m
4,009.11077
false
[CIF] data_ScInPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.67486672 _cell_length_b 7.67486672 _cell_length_c 3.46233500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScInPd _chemical_formula_sum 'Sc3 In3 Pd3' _cell_volume 176.62061880 _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 In In0 1 2.11083525 0.00000000 1.73116750 1 In In1 1 -1.05541762 1.82803695 1.73116750 1 In In2 1 2.78201573 4.81859260 1.73116750 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 Pd Pd4 1 3.83743336 2.21554318 1.73116750 1 Pd Pd5 1 -0.00000000 4.43108636 1.73116750 1 Sc Sc6 1 4.62545452 0.00000000 0.00000000 1 Sc Sc7 1 1.52470610 2.64086843 0.00000000 1 Sc Sc8 1 -2.31272726 4.00576112 0.00000000 1 [/CIF]
In3Pd3Sc3
P-62m
189
hexagonal
-6m2
7,508.173093
false
[CIF] data_HfIr4Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25719556 _cell_length_b 5.25719556 _cell_length_c 5.25719556 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfIr4Cl _chemical_formula_sum 'Hf1 Ir4 Cl1' _cell_volume 102.74185422 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 1.85869932 1.85869931 1.85869932 1 Ir Ir2 1 2.79035334 2.79035334 4.64444392 1 Ir Ir3 1 2.79035334 4.64444392 2.79035334 1 Ir Ir4 1 4.64444392 2.79035334 2.79035334 1 Ir Ir5 1 4.64444392 4.64444392 4.64444392 1 [/CIF]
ClHfIr4
F-43m
216
cubic
-43m
15,884.43262
false
[CIF] data_NbCdInW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75648837 _cell_length_b 4.75648837 _cell_length_c 4.75648837 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCdInW _chemical_formula_sum 'Nb1 Cd1 In1 W1' _cell_volume 76.09293213 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.36334518 3.36334518 3.36334518 1 In In1 1 1.68167259 1.68167259 1.68167259 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 5.04501777 5.04501777 5.04501777 1 [/CIF]
CdInNbW
F-43m
216
cubic
-43m
10,998.009718
false
[CIF] data_NaHfNb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72702025 _cell_length_b 4.72702025 _cell_length_c 4.72702025 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaHfNb3 _chemical_formula_sum 'Na1 Hf1 Nb3' _cell_volume 105.62394602 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 0.00000000 2.36351012 0.00000000 1 Nb Nb2 1 0.00000000 0.00000000 2.36351012 1 Nb Nb3 1 2.36351012 0.00000000 0.00000000 1 Hf Hf4 1 2.36351012 2.36351012 2.36351012 1 [/CIF]
HfNaNb3
Pm-3m
221
cubic
m-3m
7,549.320762
false
[CIF] data_LaGaSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29195485 _cell_length_b 5.29195485 _cell_length_c 5.29195485 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaGaSb _chemical_formula_sum 'La1 Ga1 Sb1' _cell_volume 104.79327008 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 3.74197716 3.74197716 3.74197716 1 Sb Sb2 1 1.87098858 1.87098858 1.87098858 1 [/CIF]
GaLaSb
F-43m
216
cubic
-43m
5,235.288117
false
[CIF] data_TiPb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34238532 _cell_length_b 3.34238532 _cell_length_c 9.55324753 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiPb3 _chemical_formula_sum 'Ti1 Pb3' _cell_volume 106.72448335 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67119266 1.67119266 7.52094200 1 Pb Pb1 1 0.00000000 0.00000000 4.77662377 1 Pb Pb2 1 1.67119266 1.67119266 2.03230553 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pb3Ti
P4/mmm
123
tetragonal
4/mmm
10,416.317535
false
[CIF] data_TlZn2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81435222 _cell_length_b 3.81435222 _cell_length_c 6.79573423 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.38533429 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlZn2Te _chemical_formula_sum 'Tl1 Zn2 Te1' _cell_volume 98.78738747 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Te Te0 1 0.00000000 0.00000000 0.00000000 1 Tl Tl1 1 0.00000000 0.00000000 3.39786711 1 Zn Zn2 1 2.64043017 -0.00000000 5.37681707 1 Zn Zn3 1 2.64043017 -0.00000000 1.41891716 1 [/CIF]
TeTlZn2
Cmmm
65
orthorhombic
mmm
7,778.354577
false
[CIF] data_InBPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38840405 _cell_length_b 4.38840405 _cell_length_c 4.38840405 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InBPd2 _chemical_formula_sum 'In1 B1 Pd2' _cell_volume 59.75920654 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 In In1 1 3.10307026 3.10307026 3.10307026 1 Pd Pd2 1 1.55153513 1.55153513 1.55153513 1 Pd Pd3 1 4.65460539 4.65460539 4.65460539 1 [/CIF]
BInPd2
Fm-3m
225
cubic
m-3m
9,405.103643
false
[CIF] data_BaMgMnPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16719058 _cell_length_b 5.16719058 _cell_length_c 5.16719058 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMgMnPt _chemical_formula_sum 'Ba1 Mg1 Mn1 Pt1' _cell_volume 97.55475487 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 1.82687775 1.82687775 1.82687775 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Mn Mn2 1 5.48063325 5.48063325 5.48063325 1 Pt Pt3 1 3.65375550 3.65375550 3.65375550 1 [/CIF]
BaMgMnPt
F-43m
216
cubic
-43m
7,007.014928
false
[CIF] data_TlCuRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71346376 _cell_length_b 4.71346376 _cell_length_c 4.71346376 _cell_angle_alpha 127.52580558 _cell_angle_beta 127.52580558 _cell_angle_gamma 77.39447338 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlCuRe2 _chemical_formula_sum 'Tl1 Cu1 Re2' _cell_volume 63.89198512 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 2.08375967 -0.00000000 1.83933629 1 Re Re2 1 0.00000000 -0.00000000 3.67867257 1 Tl Tl3 1 -0.00000000 2.08375967 1.83933629 1 [/CIF]
CuRe2Tl
I-4m2
119
tetragonal
-42m
16,642.385797
false
[CIF] data_BaSrLi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.08532985 _cell_length_b 6.08532985 _cell_length_c 4.45643715 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSrLi2 _chemical_formula_sum 'Ba1 Sr1 Li2' _cell_volume 165.02739090 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.04266492 3.04266492 0.00000000 1 Li Li1 1 3.04266492 0.00000000 2.22821858 1 Li Li2 1 0.00000000 3.04266492 2.22821858 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaLi2Sr
P4/mmm
123
tetragonal
4/mmm
2,403.145821
false
[CIF] data_LiCoRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95264606 _cell_length_b 3.95264606 _cell_length_c 3.95264606 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCoRh _chemical_formula_sum 'Li1 Co1 Rh1' _cell_volume 43.66654012 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 4.19241425 4.19241425 4.19241425 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 2.79494283 2.79494283 2.79494283 1 [/CIF]
CoLiRh
F-43m
216
cubic
-43m
6,418.307391
false
[CIF] data_SrLaInHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.57897598 _cell_length_b 5.57897598 _cell_length_c 5.57897598 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLaInHg _chemical_formula_sum 'Sr1 La1 In1 Hg1' _cell_volume 122.78589430 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.94493175 3.94493175 3.94493175 1 In In1 1 1.97246587 1.97246587 1.97246587 1 La La2 1 5.91739763 5.91739763 5.91739762 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgInLaSr
F-43m
216
cubic
-43m
7,329.031592
false
[CIF] data_NaTiMnOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46689765 _cell_length_b 4.46689765 _cell_length_c 4.46689765 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTiMnOs _chemical_formula_sum 'Na1 Ti1 Mn1 Os1' _cell_volume 63.02357101 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.73786043 4.73786043 4.73786043 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 1.57928681 1.57928681 1.57928681 1 Ti Ti3 1 3.15857362 3.15857362 3.15857362 1 [/CIF]
MnNaOsTi
F-43m
216
cubic
-43m
8,326.591809
false
[CIF] data_GeC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93496058 _cell_length_b 4.93496058 _cell_length_c 4.93496058 _cell_angle_alpha 150.87706211 _cell_angle_beta 150.87706211 _cell_angle_gamma 41.65547561 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeC2 _chemical_formula_sum 'Ge1 C2' _cell_volume 28.40248275 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.00000000 -0.00000000 7.08504994 1 C C1 1 0.00000000 -0.00000000 2.13990794 1 Ge Ge2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
C2Ge
I4/mmm
139
tetragonal
4/mmm
5,651.267614
false
[CIF] data_Zr7Cu6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.37658162 _cell_length_b 9.37658162 _cell_length_c 9.37658162 _cell_angle_alpha 35.94961131 _cell_angle_beta 35.94961131 _cell_angle_gamma 35.94961131 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr7Cu6 _chemical_formula_sum 'Zr7 Cu6' _cell_volume 254.11206845 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.90649983 1 Cu Cu1 1 -0.00000000 0.00000000 14.37671518 1 Cu Cu2 1 0.00000000 0.00000000 9.25792081 1 Cu Cu3 1 0.00000000 0.00000000 17.02529421 1 Cu Cu4 1 0.00000000 0.00000000 4.36645522 1 Cu Cu5 1 0.00000000 0.00000000 21.91675980 1 Zr Zr6 1 1.41639405 -0.81775549 19.73009049 1 Zr Zr7 1 -1.41639405 -0.81775549 19.73009049 1 Zr Zr8 1 -0.00000000 1.63551097 19.73009049 1 Zr Zr9 1 -1.41639405 0.81775549 6.55312452 1 Zr Zr10 1 -0.00000000 -1.63551097 6.55312452 1 Zr Zr11 1 1.41639405 0.81775549 6.55312452 1 Zr Zr12 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cu6Zr7
R-3m
166
trigonal
-3m
6,664.346227
false
[CIF] data_FeAs2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74029654 _cell_length_b 4.74029654 _cell_length_c 3.29916836 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.02328785 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeAs2Se _chemical_formula_sum 'Fe1 As2 Se1' _cell_volume 70.88556580 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.40943098 -1.90554642 1.64958418 1 As As1 1 1.40943098 1.90554642 1.64958418 1 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1 Se Se3 1 2.81886195 0.00000000 0.00000000 1 [/CIF]
As2FeSe
Cmmm
65
orthorhombic
mmm
6,668.063533
false
[CIF] data_MnVCr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.49887691 _cell_length_b 4.01460821 _cell_length_c 4.71903722 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.09177992 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnVCr2 _chemical_formula_sum 'Mn1 V1 Cr2' _cell_volume 46.60898584 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.48644612 2.00730410 0.03055761 1 Cr Cr1 1 1.68383920 0.00000000 1.14962680 1 Mn Mn2 1 0.83296986 2.00730410 2.31717184 1 V V3 1 0.00359376 0.00000000 3.47168250 1 [/CIF]
Cr2MnV
Pm
6
monoclinic
m
7,477.103937
false
[CIF] data_K2HgTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66887393 _cell_length_b 5.66887393 _cell_length_c 4.63080464 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2HgTe _chemical_formula_sum 'K2 Hg1 Te1' _cell_volume 148.81614748 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.83443697 2.83443697 0.00000000 1 K K1 1 2.83443697 0.00000000 2.31540232 1 K K2 1 0.00000000 2.83443697 2.31540232 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgK2Te
P4/mmm
123
tetragonal
4/mmm
4,534.594107
false
[CIF] data_TlSbW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20074586 _cell_length_b 5.20074586 _cell_length_c 5.20074586 _cell_angle_alpha 131.42132499 _cell_angle_beta 131.42132499 _cell_angle_gamma 71.14453114 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlSbW2 _chemical_formula_sum 'Tl1 Sb1 W2' _cell_volume 77.43968649 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sb Sb0 1 0.00000000 0.00000000 0.00000000 1 Tl Tl1 1 2.13929947 0.00000000 2.11509770 1 W W2 1 -0.00000000 0.00000000 4.23019539 1 W W3 1 -0.00000000 2.13929947 2.11509770 1 [/CIF]
SbTlW2
I-4m2
119
tetragonal
-42m
14,877.65185
false
[CIF] data_TaMnSb4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.09036561 _cell_length_b 6.09036561 _cell_length_c 6.09036561 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaMnSb4 _chemical_formula_sum 'Ta1 Mn1 Sb4' _cell_volume 159.74052036 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sb Sb1 1 5.37874683 5.37874683 3.23433081 1 Sb Sb2 1 5.37874683 3.23433081 5.37874683 1 Sb Sb3 1 3.23433081 5.37874683 5.37874683 1 Sb Sb4 1 3.23433081 3.23433081 3.23433081 1 Ta Ta5 1 6.45980823 6.45980823 6.45980823 1 [/CIF]
MnSb4Ta
F-43m
216
cubic
-43m
7,514.979531
false
[CIF] data_ZnMo2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88109594 _cell_length_b 4.44829543 _cell_length_c 5.08103895 _cell_angle_alpha 90.00000000 _cell_angle_beta 97.46887827 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnMo2Cl _chemical_formula_sum 'Zn1 Mo2 Cl1' _cell_volume 64.56593213 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.35578075 0.00000000 3.70815664 1 Mo Mo1 1 0.30806920 2.22414771 0.05922353 1 Mo Mo2 1 2.33004908 0.00000000 1.22481360 1 Zn Zn3 1 1.04859797 2.22414771 2.56470041 1 [/CIF]
ClMo2Zn
Pm
6
monoclinic
m
7,529.168671
false
[CIF] data_NaCdSnPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81805935 _cell_length_b 4.81805935 _cell_length_c 4.81805935 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCdSnPt _chemical_formula_sum 'Na1 Cd1 Sn1 Pt1' _cell_volume 79.08633300 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.70344122 1.70344122 1.70344122 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 3.40688244 3.40688244 3.40688244 1 Sn Sn3 1 5.11032366 5.11032366 5.11032366 1 [/CIF]
CdNaPtSn
F-43m
216
cubic
-43m
9,431.534307
false
[CIF] data_TaHgOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08958474 _cell_length_b 5.08958474 _cell_length_c 5.08958474 _cell_angle_alpha 135.27567847 _cell_angle_beta 133.94295458 _cell_angle_gamma 66.14379425 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaHgOs2 _chemical_formula_sum 'Ta1 Hg1 Os2' _cell_volume 65.77179672 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.93638191 -0.00000000 2.15923445 1 Os Os1 1 0.00000000 -0.00000000 8.52370623 1 Os Os2 1 0.00000000 1.99099120 2.06188191 1 Ta Ta3 1 0.00000000 0.00000000 4.31519005 1 [/CIF]
HgOs2Ta
Imm2
44
orthorhombic
mm2
19,238.143271
false
[CIF] data_Mg2BeSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82342447 _cell_length_b 4.82342447 _cell_length_c 4.82342447 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2BeSn _chemical_formula_sum 'Mg2 Be1 Sn1' _cell_volume 79.35082539 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 5.11601422 5.11601422 5.11601422 1 Mg Mg2 1 1.70533808 1.70533808 1.70533808 1 Sn Sn3 1 3.41067615 3.41067615 3.41067615 1 [/CIF]
BeMg2Sn
Fm-3m
225
cubic
m-3m
3,690.024338
false
[CIF] data_Li(NiP)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29699426 _cell_length_b 5.29699426 _cell_length_c 5.29699426 _cell_angle_alpha 138.49347833 _cell_angle_beta 138.49347833 _cell_angle_gamma 60.14804811 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li(NiP)2 _chemical_formula_sum 'Li1 Ni2 P2' _cell_volume 64.59598098 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 1.87695950 -0.00000000 2.29195300 1 Ni Ni2 1 -0.00000000 1.87695950 2.29195300 1 P P3 1 0.00000000 0.00000000 5.66291599 1 P P4 1 0.00000000 -0.00000000 3.50489601 1 [/CIF]
LiNi2P2
I4/mmm
139
tetragonal
4/mmm
4,788.493772
false
[CIF] data_Sc4AgAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66038106 _cell_length_b 5.66038106 _cell_length_c 5.66038106 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc4AgAu _chemical_formula_sum 'Sc4 Ag1 Au1' _cell_volume 128.23955697 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Au Au1 1 2.00124691 2.00124691 2.00124691 1 Sc Sc2 1 3.00535967 3.00535967 4.99962799 1 Sc Sc3 1 3.00535967 4.99962799 3.00535967 1 Sc Sc4 1 4.99962799 3.00535967 3.00535967 1 Sc Sc5 1 4.99962799 4.99962799 4.99962799 1 [/CIF]
AgAuSc4
F-43m
216
cubic
-43m
6,275.709729
false
[CIF] data_KLiScW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04647886 _cell_length_b 5.04647886 _cell_length_c 5.04647886 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLiScW _chemical_formula_sum 'K1 Li1 Sc1 W1' _cell_volume 90.87624547 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.56839942 3.56839942 3.56839942 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Sc Sc2 1 5.35259913 5.35259913 5.35259913 1 W W3 1 1.78419971 1.78419971 1.78419971 1 [/CIF]
KLiScW
F-43m
216
cubic
-43m
5,021.935094
false
[CIF] data_BaSi2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34721182 _cell_length_b 3.34721182 _cell_length_c 7.26927004 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSi2Ir _chemical_formula_sum 'Ba1 Si2 Ir1' _cell_volume 81.44364371 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 0.00000000 0.00000000 3.63463502 1 Si Si2 1 1.67360591 1.67360591 4.85061983 1 Si Si3 1 1.67360591 1.67360591 2.41865021 1 [/CIF]
BaIrSi2
P4/mmm
123
tetragonal
4/mmm
7,864.270272
false
[CIF] data_LiTa2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17674409 _cell_length_b 5.17674409 _cell_length_c 4.65787008 _cell_angle_alpha 113.29460229 _cell_angle_beta 113.29460229 _cell_angle_gamma 32.05357841 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTa2Ni _chemical_formula_sum 'Li1 Ta2 Ni1' _cell_volume 60.37872581 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.79987668 0.00000000 1.96475201 1 Ni Ni1 1 7.00400777 -0.00000000 1.14381976 1 Ta Ta2 1 0.18571067 0.00000000 0.03888015 1 Ta Ta3 1 1.06229150 -0.00000000 3.22054515 1 [/CIF]
LiNiTa2
Cm
8
monoclinic
m
11,757.958177
false
[CIF] data_Al5Fe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73976265 _cell_length_b 4.73976265 _cell_length_c 8.20950973 _cell_angle_alpha 95.52183276 _cell_angle_beta 95.52183276 _cell_angle_gamma 33.55730976 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al5Fe2 _chemical_formula_sum 'Al5 Fe2' _cell_volume 101.43105525 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.42578095 -0.00000000 3.50054671 1 Al Al1 1 3.30034709 0.00000000 5.83424452 1 Al Al2 1 0.00000000 0.00000000 0.00000000 1 Al Al3 1 4.95052063 -0.00000000 2.33369781 1 Al Al4 1 0.82508677 0.00000000 4.66739561 1 Fe Fe5 1 5.77560741 -0.00000000 7.00109342 1 Fe Fe6 1 2.47526032 -0.00000000 1.16684890 1 [/CIF]
Al5Fe2
C2/m
12
monoclinic
2/m
4,037.07821
false
[CIF] data_ScAlZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15558130 _cell_length_b 3.15558130 _cell_length_c 6.83215397 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScAlZn2 _chemical_formula_sum 'Sc1 Al1 Zn2' _cell_volume 68.03249409 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sc Sc1 1 0.00000000 0.00000000 3.41607699 1 Zn Zn2 1 1.57779065 1.57779065 5.28595732 1 Zn Zn3 1 1.57779065 1.57779065 1.54619665 1 [/CIF]
AlScZn2
P4/mmm
123
tetragonal
4/mmm
4,947.445187
false
[CIF] data_K2GdFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.83645549 _cell_length_b 5.83645549 _cell_length_c 5.83645549 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2GdFe _chemical_formula_sum 'K2 Gd1 Fe1' _cell_volume 140.58291225 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Gd Gd1 1 4.12699725 4.12699725 4.12699725 1 K K2 1 6.19049588 6.19049588 6.19049588 1 K K3 1 2.06349863 2.06349863 2.06349863 1 [/CIF]
FeGdK2
Fm-3m
225
cubic
m-3m
3,440.6819
false
[CIF] data_YAl2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14367377 _cell_length_b 3.14367377 _cell_length_c 7.28757409 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YAl2Rh _chemical_formula_sum 'Y1 Al2 Rh1' _cell_volume 72.02079749 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57183688 1.57183688 2.24960722 1 Al Al1 1 1.57183688 1.57183688 5.03796687 1 Rh Rh2 1 0.00000000 0.00000000 3.64378704 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2RhY
P4/mmm
123
tetragonal
4/mmm
5,666.669243
false
[CIF] data_BaCoTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16325262 _cell_length_b 3.16325262 _cell_length_c 7.74141562 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCoTc2 _chemical_formula_sum 'Ba1 Co1 Tc2' _cell_volume 77.46189858 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 1.58162631 1.58162631 3.93999751 1 Co Co1 1 0.00000000 0.00000000 6.43471607 1 Tc Tc2 1 1.58162631 1.58162631 7.70833020 1 Tc Tc3 1 0.00000000 0.00000000 1.27049520 1 [/CIF]
BaCoTc2
P4mm
99
tetragonal
4mm
8,447.674936
false
[CIF] data_NbTc2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41893704 _cell_length_b 4.41893704 _cell_length_c 4.41893704 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbTc2Ge _chemical_formula_sum 'Nb1 Tc2 Ge1' _cell_volume 61.01525705 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 3.12466035 3.12466035 3.12466035 1 Tc Tc2 1 1.56233018 1.56233017 1.56233017 1 Tc Tc3 1 4.68699053 4.68699053 4.68699053 1 [/CIF]
GeNbTc2
Fm-3m
225
cubic
m-3m
9,888.861878
false
[CIF] data_SrAs2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84552120 _cell_length_b 4.84552120 _cell_length_c 4.84552120 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrAs2Os _chemical_formula_sum 'Sr1 As2 Os1' _cell_volume 80.44637825 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.13945135 5.13945135 5.13945135 1 As As1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 1.71315045 1.71315045 1.71315045 1 Sr Sr3 1 3.42630090 3.42630090 3.42630090 1 [/CIF]
As2OsSr
F-43m
216
cubic
-43m
8,828.256567
false
[CIF] data_LaTlIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.03387869 _cell_length_b 11.03387869 _cell_length_c 11.03387869 _cell_angle_alpha 18.48841342 _cell_angle_beta 18.48841342 _cell_angle_gamma 18.48841342 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTlIn2 _chemical_formula_sum 'La1 Tl1 In2' _cell_volume 118.00336523 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 0.00000000 0.00000000 8.03148777 1 In In1 1 -0.00000000 0.00000000 24.49568072 1 La La2 1 -0.00000000 -0.00000000 -0.00000000 1 Tl Tl3 1 0.00000000 0.00000000 16.26358424 1 [/CIF]
In2LaTl
R-3m
166
trigonal
-3m
8,062.17654
false
[CIF] data_SrFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28129130 _cell_length_b 5.28129130 _cell_length_c 5.90451987 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrFe2 _chemical_formula_sum 'Sr2 Fe4' _cell_volume 164.68909138 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 1.92573425 1.92573425 0.00000000 1 Fe Fe1 1 3.35555705 3.35555705 0.00000000 1 Fe Fe2 1 4.56637990 0.71491140 2.95225993 1 Fe Fe3 1 0.71491140 4.56637990 2.95225993 1 Sr Sr4 1 0.00000000 0.00000000 0.00000000 1 Sr Sr5 1 2.64064565 2.64064565 2.95225993 1 [/CIF]
Fe4Sr2
P4_2/mnm
136
tetragonal
4/mmm
4,019.23453
false
[CIF] data_BaVBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01311679 _cell_length_b 4.01311679 _cell_length_c 7.59220148 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaVBr2 _chemical_formula_sum 'Ba1 V1 Br2' _cell_volume 122.27321242 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.79610074 1 Br Br1 1 2.00655839 2.00655839 5.66418264 1 Br Br2 1 2.00655839 2.00655839 1.92801884 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaBr2V
P4/mmm
123
tetragonal
4/mmm
4,727.107207
false
[CIF] data_InHg2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95566915 _cell_length_b 5.91988573 _cell_length_c 6.06790801 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InHg2Se _chemical_formula_sum 'In1 Hg2 Se1' _cell_volume 106.17154338 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.47783457 2.95994287 1.48820153 1 Hg Hg1 1 1.47783457 2.95994287 4.57970648 1 In In2 1 0.00000000 0.00000000 3.03395401 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hg2InSe
Pmmm
47
orthorhombic
mmm
9,305.233498
false
[CIF] data_V4As2O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93094072 _cell_length_b 4.97363041 _cell_length_c 8.83307228 _cell_angle_alpha 89.84109225 _cell_angle_beta 79.33071219 _cell_angle_gamma 80.77167414 _symmetry_Int_Tables_number 1 _chemical_formula_structural V4As2O13 _chemical_formula_sum 'V4 As2 O13' _cell_volume 210.04696503 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.45350758 4.66307489 8.66453957 1 As As1 1 2.49879186 1.99966321 5.10509998 1 O O2 1 1.54856069 0.67853383 0.18484241 1 O O3 1 3.26199726 2.78811561 0.86436869 1 O O4 1 4.15290005 0.09661331 1.54518359 1 O O5 1 5.46191868 2.39747715 2.38650930 1 O O6 1 2.49627206 4.58975814 2.76568054 1 O O7 1 3.35423317 1.99325443 3.60634715 1 O O8 1 4.94415242 4.42111859 4.07876239 1 O O9 1 5.88408381 1.24319563 4.91770132 1 O O10 1 2.30201783 3.61525293 5.55399805 1 O O11 1 3.39757771 1.12391520 6.28728500 1 O O12 1 4.82225635 3.32072034 6.82426425 1 O O13 1 5.57856089 0.60905743 7.53747716 1 O O14 1 2.47928973 3.01235816 8.26693460 1 V V15 1 3.90744596 3.62757545 2.57070276 1 V V16 1 5.17349342 0.86116898 3.10161034 1 V V17 1 5.54841297 4.54058649 5.91669838 1 V V18 1 4.13028089 2.00524222 8.14519750 1 [/CIF]
As2O13V4
P1
1
triclinic
1
4,439.77405
false
[CIF] data_K2AlW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.65953268 _cell_length_b 6.65953268 _cell_length_c 2.83469847 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 129.19820465 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2AlW _chemical_formula_sum 'K2 Al1 W1' _cell_volume 97.42626888 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.42830090 3.00787308 1.41734923 1 K K2 1 1.42830090 -3.00787307 1.41734923 1 W W3 1 2.85660179 -0.00000000 0.00000000 1 [/CIF]
AlK2W
Cmmm
65
orthorhombic
mmm
4,926.042182
false
[CIF] data_VHgRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74296161 _cell_length_b 4.74296161 _cell_length_c 4.97584956 _cell_angle_alpha 101.94279586 _cell_angle_beta 101.94279586 _cell_angle_gamma 34.77793962 _symmetry_Int_Tables_number 1 _chemical_formula_structural VHgRh2 _chemical_formula_sum 'V1 Hg1 Rh2' _cell_volume 62.32832154 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.98670343 0.00000000 2.42872705 1 Rh Rh1 1 1.55368979 -0.00000000 3.78637644 1 Rh Rh2 1 6.41971706 -0.00000000 1.07107766 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgRh2V
C2/m
12
monoclinic
2/m
12,184.430277
false
[CIF] data_CaBeReSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68621522 _cell_length_b 4.68621522 _cell_length_c 4.68621522 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaBeReSn _chemical_formula_sum 'Ca1 Be1 Re1 Sn1' _cell_volume 72.76988569 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.65682728 1.65682728 1.65682728 1 Re Re2 1 3.31365456 3.31365456 3.31365456 1 Sn Sn3 1 4.97048184 4.97048184 4.97048184 1 [/CIF]
BeCaReSn
F-43m
216
cubic
-43m
8,078.104699
false
[CIF] data_Tm2RuPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80928778 _cell_length_b 4.80928778 _cell_length_c 4.80928778 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm2RuPt _chemical_formula_sum 'Tm2 Ru1 Pt1' _cell_volume 78.65517423 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tm Tm0 1 1.70034000 1.70034000 1.70034000 1 Tm Tm1 1 5.10102000 5.10102000 5.10102000 1 Ru Ru2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 3.40068000 3.40068000 3.40068000 1 [/CIF]
PtRuTm2
Fm-3m
225
cubic
m-3m
13,385.247795
false
[CIF] data_Hf2ZnIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09989157 _cell_length_b 5.09989157 _cell_length_c 5.09989157 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2ZnIn _chemical_formula_sum 'Hf2 Zn1 In1' _cell_volume 93.79243888 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.80308395 1.80308395 1.80308395 1 Hf Hf1 1 3.60616791 3.60616791 3.60616791 1 In In2 1 5.40925187 5.40925187 5.40925187 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hf2InZn
F-43m
216
cubic
-43m
9,510.415395
false
[CIF] data_Si2NiRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33582257 _cell_length_b 4.33582257 _cell_length_c 4.33582257 _cell_angle_alpha 128.22835625 _cell_angle_beta 128.22835625 _cell_angle_gamma 76.25539107 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2NiRu _chemical_formula_sum 'Si2 Ni1 Ru1' _cell_volume 48.88489815 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 0.00000000 0.00000000 1 Ru Ru1 1 0.00000000 0.00000000 3.41071702 1 Si Si2 1 -0.00000000 1.89292984 1.70535851 1 Si Si3 1 1.89292984 -0.00000000 1.70535851 1 [/CIF]
NiRuSi2
I4/mmm
139
tetragonal
4/mmm
7,334.934113
false
[CIF] data_Hf2HgP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23740063 _cell_length_b 5.23740063 _cell_length_c 5.23740063 _cell_angle_alpha 139.10393436 _cell_angle_beta 120.18339503 _cell_angle_gamma 75.00896672 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2HgP _chemical_formula_sum 'Hf2 Hg1 P1' _cell_volume 79.41127207 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.61143789 2.39030430 1 Hf Hf1 1 1.82972612 -0.00000000 1.76455549 1 Hg Hg2 1 0.00000000 0.00000000 4.15485979 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hf2HgP
Immm
71
orthorhombic
mmm
12,306.815944
false
[CIF] data_NaV2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39110131 _cell_length_b 4.39110131 _cell_length_c 4.39110131 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaV2Ir _chemical_formula_sum 'Na1 V2 Ir1' _cell_volume 59.86946430 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ir Ir0 1 3.10497751 3.10497751 3.10497751 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 4.65746627 4.65746627 4.65746627 1 V V3 1 1.55248876 1.55248876 1.55248876 1 [/CIF]
IrNaV2
Fm-3m
225
cubic
m-3m
8,794.799748
false
[CIF] data_TiAgBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67828198 _cell_length_b 4.67828198 _cell_length_c 4.67828198 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAgBi _chemical_formula_sum 'Ti1 Ag1 Bi1' _cell_volume 72.40093693 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.65402246 1.65402246 1.65402246 1 Bi Bi1 1 4.96206737 4.96206737 4.96206737 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgBiTi
F-43m
216
cubic
-43m
8,364.87106
false
[CIF] data_BaPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89367200 _cell_length_b 3.89367200 _cell_length_c 3.89367200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaPd _chemical_formula_sum 'Ba1 Pd1' _cell_volume 59.03072162 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 1.94683600 1.94683600 1.94683600 1 Pd Pd1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaPd
Pm-3m
221
cubic
m-3m
6,856.623209
false
[CIF] data_SrLaAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26255762 _cell_length_b 5.26255762 _cell_length_c 5.26255762 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLaAs2 _chemical_formula_sum 'Sr1 La1 As2' _cell_volume 103.05654874 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.58178527 5.58178527 5.58178527 1 As As1 1 0.00000000 0.00000000 0.00000000 1 La La2 1 1.86059509 1.86059509 1.86059509 1 Sr Sr3 1 3.72119018 3.72119018 3.72119018 1 [/CIF]
As2LaSr
F-43m
216
cubic
-43m
6,064.38783
false
[CIF] data_HfFe2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12762809 _cell_length_b 3.12762809 _cell_length_c 6.02806552 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfFe2Ir _chemical_formula_sum 'Hf1 Fe2 Ir1' _cell_volume 58.96688316 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.10591878 1 Fe Fe1 1 1.56381404 1.56381404 1.37008351 1 Hf Hf2 1 0.00000000 0.00000000 2.96853859 1 Ir Ir3 1 1.56381404 1.56381404 4.59755747 1 [/CIF]
Fe2HfIr
P4mm
99
tetragonal
4mm
13,584.577933
false
[CIF] data_ZnCuAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84776861 _cell_length_b 3.87740956 _cell_length_c 5.68150540 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCuAg2 _chemical_formula_sum 'Zn1 Cu1 Ag2' _cell_volume 62.73498510 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.42388431 1.93870478 4.27906857 1 Ag Ag1 1 1.42388431 1.93870478 1.40243683 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 0.00000000 0.00000000 2.84075270 1 [/CIF]
Ag2CuZn
Pmmm
47
orthorhombic
mmm
9,122.906128
false
[CIF] data_LiCr2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49287924 _cell_length_b 4.49287924 _cell_length_c 4.82276172 _cell_angle_alpha 90.87444332 _cell_angle_beta 90.87444332 _cell_angle_gamma 31.21190110 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCr2Tc _chemical_formula_sum 'Li1 Cr2 Tc1' _cell_volume 50.44197591 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.42946957 -0.00000000 1.16110086 1 Cr Cr1 1 2.14860670 0.00000000 3.66105537 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 4.28903813 -0.00000000 2.41107812 1 [/CIF]
Cr2LiTc
C2/m
12
monoclinic
2/m
6,907.868201
false
[CIF] data_Be2NbPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05490478 _cell_length_b 5.05490478 _cell_length_c 5.05490478 _cell_angle_alpha 149.28136700 _cell_angle_beta 123.08685506 _cell_angle_gamma 66.07152224 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2NbPd _chemical_formula_sum 'Be2 Nb1 Pd1' _cell_volume 54.66451152 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.33890013 -0.00000000 2.27610593 1 Be Be1 1 0.00000000 2.40862432 1.96157476 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 0.00000000 0.00000000 4.23768069 1 [/CIF]
Be2NbPd
Immm
71
orthorhombic
mmm
6,602.444466
false
[CIF] data_Mg2BeOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33601018 _cell_length_b 4.33601018 _cell_length_c 4.33601018 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2BeOs _chemical_formula_sum 'Mg2 Be1 Os1' _cell_volume 57.64423513 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 3.06602220 3.06602220 3.06602220 1 Mg Mg2 1 4.59903330 4.59903330 4.59903330 1 Os Os3 1 1.53301110 1.53301110 1.53301110 1 [/CIF]
BeMg2Os
F-43m
216
cubic
-43m
7,139.798629
false
[CIF] data_TaSb2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34973230 _cell_length_b 3.34973230 _cell_length_c 6.66347675 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaSb2Os _chemical_formula_sum 'Ta1 Sb2 Os1' _cell_volume 74.76891676 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.33173838 1 Sb Sb1 1 1.67486615 1.67486615 4.99426849 1 Sb Sb2 1 1.67486615 1.67486615 1.66920826 1 Ta Ta3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
OsSb2Ta
P4/mmm
123
tetragonal
4/mmm
13,651.793929
false
[CIF] data_NaIr2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76666429 _cell_length_b 4.63173386 _cell_length_c 4.74744992 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaIr2Rh _chemical_formula_sum 'Na1 Ir2 Rh1' _cell_volume 60.83597231 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.38333215 0.00000000 2.37372496 1 Ir Ir1 1 0.00000000 2.31586693 2.37372496 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Rh Rh3 1 1.38333215 2.31586693 0.00000000 1 [/CIF]
Ir2NaRh
Pmmm
47
orthorhombic
mmm
13,929.615264
false
[CIF] data_ScMnCdPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64398257 _cell_length_b 4.64398257 _cell_length_c 4.64398257 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScMnCdPd _chemical_formula_sum 'Sc1 Mn1 Cd1 Pd1' _cell_volume 70.82013439 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.28379157 3.28379157 3.28379157 1 Mn Mn1 1 1.64189578 1.64189578 1.64189578 1 Pd Pd2 1 4.92568735 4.92568735 4.92568735 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdMnPdSc
F-43m
216
cubic
-43m
7,473.231266
false
[CIF] data_LaMn2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90596357 _cell_length_b 2.90596357 _cell_length_c 7.14322351 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMn2Fe _chemical_formula_sum 'La1 Mn2 Fe1' _cell_volume 60.32183862 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.07152011 1 La La1 1 1.45298178 1.45298178 5.32904625 1 Mn Mn2 1 0.00000000 0.00000000 0.59077630 1 Mn Mn3 1 1.45298178 1.45298178 1.72349268 1 [/CIF]
FeLaMn2
P4mm
99
tetragonal
4mm
8,385.757384
false
[CIF] data_NiOs4Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18774712 _cell_length_b 5.18774712 _cell_length_c 5.18774712 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiOs4Br _chemical_formula_sum 'Ni1 Os4 Br1' _cell_volume 98.72369393 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.50243675 5.50243675 5.50243675 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 4.58594849 4.58594849 2.75063385 1 Os Os3 1 4.58594849 2.75063385 4.58594849 1 Os Os4 1 2.75063385 4.58594849 4.58594849 1 Os Os5 1 2.75063385 2.75063385 2.75063385 1 [/CIF]
BrNiOs4
F-43m
216
cubic
-43m
15,129.942209
false
[CIF] data_NiAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70299984 _cell_length_b 4.70299984 _cell_length_c 4.70299984 _cell_angle_alpha 33.92953961 _cell_angle_beta 33.92953961 _cell_angle_gamma 33.92953961 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiAg _chemical_formula_sum 'Ni1 Ag1' _cell_volume 28.88501516 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.64203943 1 Ni Ni1 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
AgNi
R-3m
166
trigonal
-3m
9,575.277779
false
[CIF] data_KLiRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.81072795 _cell_length_b 8.74444492 _cell_length_c 2.69808118 _cell_angle_alpha 82.55270253 _cell_angle_beta 79.77071670 _cell_angle_gamma 17.67658076 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLiRe _chemical_formula_sum 'K1 Li1 Re1' _cell_volume 61.56861451 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.74871839 2.05465959 16.89218691 1 Li Li1 1 1.74871839 2.05465959 11.90132643 1 Re Re2 1 1.74871839 2.05465959 5.47771098 1 [/CIF]
KLiRe
Fmm2
42
orthorhombic
mm2
6,263.809203
false
[CIF] data_Cr2Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44855858 _cell_length_b 4.44855858 _cell_length_c 4.44855858 _cell_angle_alpha 146.89243832 _cell_angle_beta 127.80015521 _cell_angle_gamma 63.22064892 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2Ga _chemical_formula_sum 'Cr2 Ga1' _cell_volume 37.59042520 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.56167041 1 Cr Cr1 1 0.00000000 -0.00000000 5.01540373 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr2Ga
Immm
71
orthorhombic
mmm
7,673.785931
false
[CIF] data_KGe2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.57020041 _cell_length_b 5.57020041 _cell_length_c 5.57020041 _cell_angle_alpha 139.10469749 _cell_angle_beta 112.70304719 _cell_angle_gamma 81.84437889 _symmetry_Int_Tables_number 1 _chemical_formula_structural KGe2Rh _chemical_formula_sum 'K1 Ge2 Rh1' _cell_volume 101.11414500 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 1.94595752 0.00000000 2.74950444 1 Ge Ge1 1 -0.00000000 3.08642612 1.45933813 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Rh Rh3 1 0.00000000 0.00000000 4.20884257 1 [/CIF]
Ge2KRh
Immm
71
orthorhombic
mmm
4,717.895534
false
[CIF] data_BaTiSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21751113 _cell_length_b 5.21751113 _cell_length_c 5.21751113 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTiSe2 _chemical_formula_sum 'Ba1 Ti1 Se2' _cell_volume 100.43270372 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.68933750 3.68933750 3.68933750 1 Se Se1 1 5.53400625 5.53400625 5.53400625 1 Se Se2 1 1.84466875 1.84466875 1.84466875 1 Ti Ti3 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
BaSe2Ti
Fm-3m
225
cubic
m-3m
5,672.994754
false
[CIF] data_LaMg2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10574822 _cell_length_b 5.10574822 _cell_length_c 5.41776420 _cell_angle_alpha 116.10891062 _cell_angle_beta 116.10891062 _cell_angle_gamma 52.48257895 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMg2Au _chemical_formula_sum 'La1 Mg2 Au1' _cell_volume 97.61165480 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.22753954 -0.00000000 2.83923576 1 La La1 1 6.28601554 0.00000000 1.23046492 1 Mg Mg2 1 6.50526406 -0.00000000 4.43826547 1 Mg Mg3 1 0.23343619 -0.00000000 3.29408787 1 [/CIF]
AuLaMg2
Cm
8
monoclinic
m
6,540.688686
false
[CIF] data_MgAlZnIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39520385 _cell_length_b 4.39520385 _cell_length_c 4.39520385 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgAlZnIr _chemical_formula_sum 'Mg1 Al1 Zn1 Ir1' _cell_volume 60.03742691 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.10787845 3.10787845 3.10787845 1 Ir Ir1 1 1.55393922 1.55393922 1.55393923 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 4.66181767 4.66181767 4.66181767 1 [/CIF]
AlIrMgZn
F-43m
216
cubic
-43m
8,543.223941
false
[CIF] data_Li2MoPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.62188561 _cell_length_b 2.62188561 _cell_length_c 8.57866047 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2MoPt _chemical_formula_sum 'Li2 Mo1 Pt1' _cell_volume 58.97214971 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 1.31094281 1.31094281 6.22414279 1 Li Li1 1 1.31094281 1.31094281 2.35451768 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 0.00000000 0.00000000 4.28933024 1 [/CIF]
Li2MoPt
P4/mmm
123
tetragonal
4/mmm
8,586.1129
false
[CIF] data_Sr2MgFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65425945 _cell_length_b 3.65425945 _cell_length_c 8.80065878 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2MgFe _chemical_formula_sum 'Sr2 Mg1 Fe1' _cell_volume 117.52058401 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.40032939 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 1.82712973 1.82712973 2.63084033 1 Sr Sr3 1 1.82712973 1.82712973 6.16981845 1 [/CIF]
FeMgSr2
P4/mmm
123
tetragonal
4/mmm
3,608.629218
false
[CIF] data_Ta2Nb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.92601715 _cell_length_b 5.92601715 _cell_length_c 7.19496577 _cell_angle_alpha 109.35786768 _cell_angle_beta 109.35786768 _cell_angle_gamma 28.24429021 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2Nb _chemical_formula_sum 'Ta4 Nb2' _cell_volume 112.37037196 _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 Nb Nb0 1 3.72224960 -0.00000000 4.69700142 1 Nb Nb1 1 5.31236997 0.00000000 2.06463814 1 Ta Ta2 1 7.49669735 -0.00000000 6.56891149 1 Ta Ta3 1 0.67576396 -0.00000000 4.32679239 1 Ta Ta4 1 8.35885561 -0.00000000 2.43484717 1 Ta Ta5 1 1.53792222 -0.00000000 0.19272806 1 [/CIF]
Nb2Ta4
C2/m
12
monoclinic
2/m
13,441.563072
false
[CIF] data_ScPW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50566916 _cell_length_b 5.50566916 _cell_length_c 3.03861220 _cell_angle_alpha 106.03203565 _cell_angle_beta 106.03203565 _cell_angle_gamma 120.19306840 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScPW2 _chemical_formula_sum 'Sc1 P1 W2' _cell_volume 66.27997464 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 0.00000000 0.00000000 0.00000000 1 Sc Sc1 1 2.74479728 -0.00000000 0.00000000 1 W W2 1 0.53075328 2.38634033 1.26488106 1 W W3 1 0.53075328 -2.38634033 1.26488106 1 [/CIF]
PScW2
C2/m
12
monoclinic
2/m
11,113.932949
false
[CIF] data_KLi2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41421856 _cell_length_b 4.36826903 _cell_length_c 7.64706260 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLi2Sb _chemical_formula_sum 'K1 Li2 Sb1' _cell_volume 114.05001371 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Li Li1 1 1.70710928 2.18413451 2.56329600 1 Li Li2 1 1.70710928 2.18413451 5.08376660 1 Sb Sb3 1 0.00000000 0.00000000 3.82353130 1 [/CIF]
KLi2Sb
Pmmm
47
orthorhombic
mmm
2,544.174132
false
[CIF] data_NaTa2Ti _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02148944 _cell_length_b 5.02148944 _cell_length_c 6.00975361 _cell_angle_alpha 94.26079192 _cell_angle_beta 94.26079192 _cell_angle_gamma 32.18914666 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTa2Ti _chemical_formula_sum 'Na1 Ta2 Ti1' _cell_volume 80.48504106 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.06129428 0.00000000 4.47795827 1 Ta Ta1 1 0.05258646 0.00000000 0.27816981 1 Ta Ta2 1 7.14819003 -0.00000000 1.49330951 1 Ti Ti3 1 4.51487649 0.00000000 2.73820099 1 [/CIF]
NaTa2Ti
Cm
8
monoclinic
m
8,928.398018
false
[CIF] data_ScFeSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59451648 _cell_length_b 4.59451648 _cell_length_c 3.34264393 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScFeSe2 _chemical_formula_sum 'Sc1 Fe1 Se2' _cell_volume 70.56181511 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 2.29725824 2.29725824 0.00000000 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Se Se2 1 0.00000000 2.29725824 1.67132196 1 Se Se3 1 2.29725824 0.00000000 1.67132196 1 [/CIF]
FeScSe2
P4/mmm
123
tetragonal
4/mmm
6,088.53155
false
[CIF] data_Ca2AsAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14041475 _cell_length_b 5.14041475 _cell_length_c 3.65223999 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2AsAu _chemical_formula_sum 'Ca2 As1 Au1' _cell_volume 96.50629207 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Au Au1 1 2.57020737 2.57020737 0.00000000 1 Ca Ca2 1 2.57020737 0.00000000 1.82611999 1 Ca Ca3 1 0.00000000 2.57020737 1.82611999 1 [/CIF]
AsAuCa2
P4/mmm
123
tetragonal
4/mmm
6,057.460952
false
[CIF] data_FeRe4Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15262666 _cell_length_b 5.15262666 _cell_length_c 5.15262666 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeRe4Ag _chemical_formula_sum 'Fe1 Re4 Ag1' _cell_volume 96.73219220 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.46518588 5.46518588 5.46518588 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 4.55177022 4.55177022 2.73514428 1 Re Re3 1 4.55177022 2.73514428 4.55177022 1 Re Re4 1 2.73514428 4.55177022 4.55177022 1 Re Re5 1 2.73514428 2.73514428 2.73514428 1 [/CIF]
AgFeRe4
F-43m
216
cubic
-43m
15,596.339976
false
[CIF] data_BeB2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89356675 _cell_length_b 3.89356675 _cell_length_c 3.89356675 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeB2Au _chemical_formula_sum 'Be1 B2 Au1' _cell_volume 41.73763865 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 4.12975118 4.12975118 4.12975118 1 B B1 1 1.37658373 1.37658373 1.37658373 1 B B2 1 2.75316745 2.75316745 2.75316745 1 Be Be3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuB2Be
F-43m
216
cubic
-43m
9,055.134667
false
[CIF] data_GaSn2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57999464 _cell_length_b 4.57999464 _cell_length_c 6.26628226 _cell_angle_alpha 105.60919826 _cell_angle_beta 105.60919826 _cell_angle_gamma 49.65562855 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaSn2Au _chemical_formula_sum 'Ga1 Sn2 Au1' _cell_volume 95.67792718 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.22777965 -0.00000000 2.99227541 1 Ga Ga1 1 0.00000000 -0.00000000 0.00000000 1 Sn Sn2 1 0.66486485 -0.00000000 4.36863777 1 Sn Sn3 1 5.79069445 -0.00000000 1.61591304 1 [/CIF]
AuGaSn2
C2/m
12
monoclinic
2/m
8,749.077848
false
[CIF] data_YSc2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68662482 _cell_length_b 4.90997263 _cell_length_c 6.14181540 _cell_angle_alpha 90.00000000 _cell_angle_beta 106.50148231 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YSc2Te _chemical_formula_sum 'Y1 Sc2 Te1' _cell_volume 106.59538646 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.88242114 2.45498632 1.58328057 1 Sc Sc1 1 0.05968151 2.45498632 4.30556812 1 Te Te2 1 0.97105132 0.00000000 2.94442434 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Sc2TeY
P2/m
10
monoclinic
2/m
4,773.363419
false
[CIF] data_ZrNbW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66648530 _cell_length_b 5.66648530 _cell_length_c 5.66648530 _cell_angle_alpha 146.00485116 _cell_angle_beta 146.00485116 _cell_angle_gamma 48.83955735 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNbW _chemical_formula_sum 'Zr1 Nb1 W1' _cell_volume 56.63060419 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.17194970 1 W W1 1 0.00000000 0.00000000 6.74979472 1 Zr Zr2 1 -0.00000000 0.00000000 3.39739008 1 [/CIF]
NbWZr
I4mm
107
tetragonal
4mm
10,789.734634
false
[CIF] data_Al2TcCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82782287 _cell_length_b 4.82782287 _cell_length_c 2.79292674 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2TcCl _chemical_formula_sum 'Al2 Tc1 Cl1' _cell_volume 65.09718361 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.41391144 0.00000000 1.39646337 1 Al Al1 1 0.00000000 2.41391144 1.39646337 1 Cl Cl2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 2.41391144 2.41391144 0.00000000 1 [/CIF]
Al2ClTc
P4/mmm
123
tetragonal
4/mmm
4,803.840674
false
[CIF] data_MgIr2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55261259 _cell_length_b 4.55261259 _cell_length_c 3.12591168 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgIr2Br _chemical_formula_sum 'Mg1 Ir2 Br1' _cell_volume 64.78852509 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.27630629 2.27630629 0.00000000 1 Ir Ir1 1 2.27630629 0.00000000 1.56295584 1 Ir Ir2 1 0.00000000 2.27630629 1.56295584 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BrIr2Mg
P4/mmm
123
tetragonal
4/mmm
12,523.989239
false
[CIF] data_FeBP3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59527696 _cell_length_b 8.38882876 _cell_length_c 5.61127556 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeBP3 _chemical_formula_sum 'Fe4 B4 P12' _cell_volume 263.38104379 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 3.78381578 6.29162157 0.21083038 1 B B1 1 4.60909966 2.09720719 3.01646816 1 B B2 1 1.81146118 2.09720719 5.40044518 1 B B3 1 0.98617730 6.29162157 2.59480740 1 Fe Fe4 1 2.79763848 0.00000000 2.80563778 1 Fe Fe5 1 0.00000000 0.00000000 0.00000000 1 Fe Fe6 1 2.79763848 4.19441438 2.80563778 1 Fe Fe7 1 0.00000000 4.19441438 0.00000000 1 P P8 1 3.10349053 6.29162157 2.05125761 1 P P9 1 5.28942491 2.09720719 4.85689539 1 P P10 1 2.49178643 2.09720719 3.56001795 1 P P11 1 0.30585205 6.29162157 0.75438017 1 P P12 1 2.10570353 0.44585476 0.74429137 1 P P13 1 0.69193495 7.94297400 3.54992915 1 P P14 1 3.48957343 4.64026914 4.86698419 1 P P15 1 4.90334201 3.74855962 2.06134641 1 P P16 1 3.48957343 7.94297400 4.86698419 1 P P17 1 4.90334201 0.44585476 2.06134641 1 P P18 1 2.10570353 3.74855962 0.74429137 1 P P19 1 0.69193495 4.64026914 3.54992915 1 [/CIF]
B4Fe4P12
Pnma
62
orthorhombic
mmm
4,024.349114
false
[CIF] data_CaZnAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65183995 _cell_length_b 3.65183995 _cell_length_c 6.26094670 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaZnAu2 _chemical_formula_sum 'Ca1 Zn1 Au2' _cell_volume 83.49557836 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.03341294 1 Au Au1 1 1.82591997 1.82591997 1.50375199 1 Ca Ca2 1 0.00000000 0.00000000 3.03460310 1 Zn Zn3 1 1.82591997 1.82591997 5.08059872 1 [/CIF]
Au2CaZn
P4mm
99
tetragonal
4mm
9,932.730297
false
[CIF] data_LiCo2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19988170 _cell_length_b 4.19988170 _cell_length_c 4.19988170 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCo2Sn _chemical_formula_sum 'Li1 Co2 Sn1' _cell_volume 52.38370069 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 4.45464725 4.45464725 4.45464725 1 Co Co1 1 1.48488242 1.48488242 1.48488242 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 2.96976483 2.96976483 2.96976483 1 [/CIF]
Co2LiSn
Fm-3m
225
cubic
m-3m
7,719.487265
false
[CIF] data_BaMgAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41381788 _cell_length_b 5.41381788 _cell_length_c 5.41381788 _cell_angle_alpha 123.97510314 _cell_angle_beta 123.97510314 _cell_angle_gamma 83.24262545 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMgAs2 _chemical_formula_sum 'Ba1 Mg1 As2' _cell_volume 104.66107664 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.54267204 -0.00000000 2.02355269 1 As As1 1 0.00000000 2.54267204 2.02355268 1 Ba Ba2 1 0.00000000 -0.00000000 4.04710537 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2BaMg
I4/mmm
139
tetragonal
4/mmm
4,941.825122
false
[CIF] data_SrHgAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80848810 _cell_length_b 5.80848810 _cell_length_c 5.80848810 _cell_angle_alpha 139.97459338 _cell_angle_beta 139.97459338 _cell_angle_gamma 57.89187694 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrHgAu _chemical_formula_sum 'Sr1 Hg1 Au1' _cell_volume 80.33924503 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.10906414 1 Hg Hg1 1 0.00000000 -0.00000000 3.49419763 1 Sr Sr2 1 0.00000000 0.00000000 6.72823013 1 [/CIF]
AuHgSr
I4mm
107
tetragonal
4mm
10,028.162309
false
[CIF] data_BaAgOsPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18808031 _cell_length_b 5.18808031 _cell_length_c 5.18808031 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaAgOsPb _chemical_formula_sum 'Ba1 Ag1 Os1 Pb1' _cell_volume 98.74271706 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ba Ba1 1 5.50279016 5.50279016 5.50279016 1 Os Os2 1 3.66852677 3.66852677 3.66852677 1 Pb Pb3 1 1.83426339 1.83426339 1.83426339 1 [/CIF]
AgBaOsPb
F-43m
216
cubic
-43m
10,806.916009
false
[CIF] data_Hf2InGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87058701 _cell_length_b 4.87058701 _cell_length_c 4.87058701 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2InGa _chemical_formula_sum 'Hf2 In1 Ga1' _cell_volume 81.70129107 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 1.72201255 1.72201255 1.72201255 1 Hf Hf2 1 5.16603765 5.16603765 5.16603765 1 In In3 1 3.44402510 3.44402510 3.44402510 1 [/CIF]
GaHf2In
Fm-3m
225
cubic
m-3m
11,006.151361
false
[CIF] data_CaAgMoOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66277262 _cell_length_b 4.66277262 _cell_length_c 4.66277262 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaAgMoOs _chemical_formula_sum 'Ca1 Ag1 Mo1 Os1' _cell_volume 71.68325466 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 3.29707814 3.29707814 3.29707814 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 4.94561721 4.94561721 4.94561721 1 Os Os3 1 1.64853907 1.64853907 1.64853907 1 [/CIF]
AgCaMoOs
F-43m
216
cubic
-43m
10,056.743709
false
[CIF] data_Hf2Al2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.92595351 _cell_length_b 7.92595351 _cell_length_c 7.92595351 _cell_angle_alpha 153.65967410 _cell_angle_beta 153.65967410 _cell_angle_gamma 37.59445089 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2Al2Se _chemical_formula_sum 'Hf2 Al2 Se1' _cell_volume 97.87807239 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.80587971 3.75161086 1 Al Al1 1 1.80587971 -0.00000000 3.75161086 1 Hf Hf2 1 -0.00000000 0.00000000 9.01982931 1 Hf Hf3 1 -0.00000000 0.00000000 5.98661411 1 Se Se4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2Hf2Se
I4/mmm
139
tetragonal
4/mmm
8,311.393744
false
[CIF] data_La2TiV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13417626 _cell_length_b 5.13417626 _cell_length_c 3.62919714 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2TiV _chemical_formula_sum 'La2 Ti1 V1' _cell_volume 95.66478690 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.56708813 0.00000000 1.81459857 1 La La1 1 0.00000000 2.56708813 1.81459857 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 2.56708813 2.56708813 0.00000000 1 [/CIF]
La2TiV
P4/mmm
123
tetragonal
4/mmm
6,537.319672
false
[CIF] data_FeMo22 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.20421426 _cell_length_b 10.20421426 _cell_length_c 10.20421426 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeMo22 _chemical_formula_sum 'Fe2 Mo44' _cell_volume 751.31785373 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 3.60773455 3.60773455 3.60773455 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 8.05285315 9.93365681 4.49728139 1 Mo Mo3 1 8.05285315 4.49728139 9.93365681 1 Mo Mo4 1 6.37808505 4.49728139 4.49728139 1 Mo Mo5 1 6.37808505 9.93365681 9.93365681 1 Mo Mo6 1 4.49728139 6.37808505 4.49728139 1 Mo Mo7 1 9.93365681 6.37808505 9.93365681 1 Mo Mo8 1 4.49728139 8.05285315 9.93365681 1 Mo Mo9 1 9.93365681 8.05285315 4.49728139 1 Mo Mo10 1 4.49728139 9.93365681 8.05285315 1 Mo Mo11 1 9.93365681 4.49728139 8.05285315 1 Mo Mo12 1 9.93365681 9.93365681 6.37808505 1 Mo Mo13 1 4.49728139 4.49728139 6.37808505 1 Mo Mo14 1 2.77035050 6.32592226 8.10501594 1 Mo Mo15 1 2.77035050 8.10501594 6.32592226 1 Mo Mo16 1 11.66058770 6.32592226 6.32592226 1 Mo Mo17 1 11.66058770 8.10501594 8.10501594 1 Mo Mo18 1 6.32592226 6.32592226 11.66058770 1 Mo Mo19 1 8.10501594 8.10501594 11.66058770 1 Mo Mo20 1 6.32592226 8.10501594 2.77035050 1 Mo Mo21 1 8.10501594 6.32592226 2.77035050 1 Mo Mo22 1 6.32592226 2.77035050 8.10501594 1 Mo Mo23 1 8.10501594 2.77035050 6.32592226 1 Mo Mo24 1 8.10501594 11.66058770 8.10501594 1 Mo Mo25 1 6.32592226 11.66058770 6.32592226 1 Mo Mo26 1 10.82320365 8.80004615 10.82320365 1 Mo Mo27 1 10.82320365 12.84636115 10.82320365 1 Mo Mo28 1 10.82320365 10.82320365 12.84636115 1 Mo Mo29 1 10.82320365 10.82320365 8.80004615 1 Mo Mo30 1 12.84636115 10.82320365 10.82320365 1 Mo Mo31 1 8.80004615 10.82320365 10.82320365 1 Mo Mo32 1 7.21546910 7.21546910 9.23862660 1 Mo Mo33 1 7.21546910 7.21546910 5.19231160 1 Mo Mo34 1 7.21546910 5.19231160 7.21546910 1 Mo Mo35 1 7.21546910 9.23862660 7.21546910 1 Mo Mo36 1 5.19231160 7.21546910 7.21546910 1 Mo Mo37 1 9.23862660 7.21546910 7.21546910 1 Mo Mo38 1 5.41160183 1.80386728 5.41160183 1 Mo Mo39 1 5.41160183 5.41160183 1.80386728 1 Mo Mo40 1 1.80386728 5.41160183 5.41160183 1 Mo Mo41 1 1.80386728 1.80386728 1.80386728 1 Mo Mo42 1 5.41160183 9.01933638 5.41160183 1 Mo Mo43 1 5.41160183 5.41160183 9.01933638 1 Mo Mo44 1 9.01933638 5.41160183 5.41160183 1 Mo Mo45 1 9.01933638 9.01933638 9.01933638 1 [/CIF]
Fe2Mo44
Fd-3m
227
cubic
m-3m
9,578.715641
true
[CIF] data_Ga2GeB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49386322 _cell_length_b 4.49386322 _cell_length_c 4.49386322 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2GeB _chemical_formula_sum 'Ga2 Ge1 B1' _cell_volume 64.17184894 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 3.17764116 3.17764116 3.17764116 1 Ga Ga2 1 1.58882058 1.58882058 1.58882058 1 Ge Ge3 1 4.76646174 4.76646174 4.76646174 1 [/CIF]
BGa2Ge
F-43m
216
cubic
-43m
5,767.781083
false
[CIF] data_Zr2BAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97418213 _cell_length_b 2.97418213 _cell_length_c 7.66118104 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 97.15073257 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2BAu _chemical_formula_sum 'Zr2 B1 Au1' _cell_volume 67.24186387 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.83059052 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 1.96782093 0.00000000 1.57257539 1 Zr Zr3 1 1.96782093 0.00000000 6.08860565 1 [/CIF]
AuBZr2
Cmmm
65
orthorhombic
mmm
9,636.627613
false