BiSbMo
Alexandria ALEXAlex-ID: agm005690917 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_9973_spg12
Sb7Mo3 Bi Mo
2023-06-19 11:33:00.042406
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690917).
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 agm005690917
data_agm005690917
_cell_length_a 3.26068
_cell_length_b 3.26169
_cell_length_c 14.84813
_cell_angle_alpha 93.70893
_cell_angle_beta 81.08771
_cell_angle_gamma 89.99193
_cell_volume 155.67303
_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
Bi1 Bi 0.59453 0.98409 0.39467 1.00000
Bi2 Bi 0.40547 0.01591 0.60533 1.00000
Sb1 Sb 0.87119 0.69962 0.82861 1.00000
Sb2 Sb 0.12881 0.30038 0.17139 1.00000
Mo1 Mo 0.71731 0.76382 0.04674 1.00000
Mo2 Mo 0.28269 0.23618 0.95326 1.00000
