Ba5Sb5As2
Alexandria ALEXAlex-ID: agm005667136 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_19_spg12
BaSb Ba2Sb3 Ba3As4
2023-06-18 20:39:28.536209
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667136).
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 agm005667136
data_agm005667136
_cell_length_a 4.82546
_cell_length_b 9.29545
_cell_length_c 10.44973
_cell_angle_alpha 83.55519
_cell_angle_beta 76.65056
_cell_angle_gamma 74.95606
_cell_volume 439.74266
_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
Ba1 Ba 0.00000 0.50000 0.50000 1.00000
Ba2 Ba 0.69797 0.68746 0.91660 1.00000
Ba3 Ba 0.37881 0.93247 0.30990 1.00000
Ba4 Ba 0.62119 0.06753 0.69010 1.00000
Ba5 Ba 0.30203 0.31254 0.08340 1.00000
Sb1 Sb 0.70911 0.22494 0.35684 1.00000
Sb2 Sb 0.93804 0.29911 0.82481 1.00000
Sb3 Sb 0.06196 0.70089 0.17519 1.00000
Sb4 Sb 0.29089 0.77506 0.64316 1.00000
Sb5 Sb 0.00000 0.00000 0.00000 1.00000
As1 As 0.37811 0.48978 0.75401 1.00000
As2 As 0.62189 0.51022 0.24599 1.00000
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