Sb4W5
Alexandria ALEXAlex-ID: agm005504228 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5_89_spg87
W Sb
2023-03-19 14:59:55.146269
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005504228).
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
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# CIF generated by HEAS from Alexandria entry agm005504228
data_agm005504228
_cell_length_a 7.42710
_cell_length_b 7.42710
_cell_length_c 7.42710
_cell_angle_alpha 92.99641
_cell_angle_beta 92.99641
_cell_angle_gamma 153.56672
_cell_volume 177.54577
_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
Sb1 Sb 0.30611 0.00000 0.30611 1.00000
Sb2 Sb 0.69389 0.00000 0.69389 1.00000
Sb3 Sb 0.00000 0.69389 0.69389 1.00000
Sb4 Sb 0.00000 0.30611 0.30611 1.00000
W1 W 0.00000 0.00000 0.00000 1.00000
W2 W 0.34547 0.65453 0.00000 1.00000
W3 W 0.65453 0.34547 0.00000 1.00000
W4 W 0.65453 0.65453 0.30906 1.00000
W5 W 0.34547 0.34547 0.69094 1.00000
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