Cs(BiSb3)4
Alexandria ALEXAlex-ID: agm099617030 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C12_1789_spg1
BiSb CsSb2 Sb
2025-04-22 13:27:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm099617030).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm099617030
data_agm099617030
_cell_length_a 6.50377
_cell_length_b 9.03697
_cell_length_c 11.03704
_cell_angle_alpha 99.59792
_cell_angle_beta 85.44041
_cell_angle_gamma 85.02246
_cell_volume 634.28031
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cs1 Cs 0.31495 0.81411 0.68461 1.00000
Bi1 Bi 0.85007 0.01440 0.09212 1.00000
Bi2 Bi 0.93512 0.02047 0.47044 1.00000
Bi3 Bi 0.97137 0.43975 0.05566 1.00000
Bi4 Bi 0.04177 0.46627 0.44863 1.00000
Sb1 Sb 0.78085 0.03497 0.82715 1.00000
Sb2 Sb 0.49228 0.16291 0.49414 1.00000
Sb3 Sb 0.60117 0.43578 0.74122 1.00000
Sb4 Sb 0.56061 0.36041 0.15638 1.00000
Sb5 Sb 0.47659 0.84999 0.03577 1.00000
Sb6 Sb 0.44406 0.69773 0.24554 1.00000
Sb7 Sb 0.41223 0.24555 0.89778 1.00000
Sb8 Sb 0.58414 0.44970 0.43734 1.00000
Sb9 Sb 0.82753 0.65583 0.89641 1.00000
Sb10 Sb 0.00045 0.68943 0.26724 1.00000
Sb11 Sb 0.00179 0.25113 0.70415 1.00000
Sb12 Sb 0.20503 0.16155 0.29541 1.00000
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