SbAs
Alexandria ALEXAlex-ID: agm005495813 · Space group: P6_3/mmc (#194)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB_61_spg194
SbAs
2023-03-18 08:35:58.317819
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005495813).
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 agm005495813
data_agm005495813
_cell_length_a 5.21786
_cell_length_b 5.21786
_cell_length_c 9.45055
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 222.82939
_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 0.00000 0.00000 0.25000 1.00000
Sb2 Sb 0.00000 0.00000 0.75000 1.00000
Sb3 Sb 0.33333 0.66667 0.75000 1.00000
Sb4 Sb 0.66667 0.33333 0.25000 1.00000
As1 As 0.33333 0.66667 0.12137 1.00000
As2 As 0.66667 0.33333 0.62137 1.00000
As3 As 0.66667 0.33333 0.87863 1.00000
As4 As 0.33333 0.66667 0.37863 1.00000
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