Cs3Sb2As
Alexandria ALEXAlex-ID: agm005677597 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2123_spg14
CsSb CsAs
2023-08-07 08:20:09.921784
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005677597).
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 agm005677597
data_agm005677597
_cell_length_a 9.05228
_cell_length_b 11.31101
_cell_length_c 15.28049
_cell_angle_alpha 90.00001
_cell_angle_beta 128.51766
_cell_angle_gamma 89.99999
_cell_volume 1224.14892
_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 0.32507 0.93425 0.06060 1.00000
Cs2 Cs 0.17493 0.43425 0.43940 1.00000
Cs3 Cs 0.67493 0.06575 0.93940 1.00000
Cs4 Cs 0.82507 0.56575 0.56060 1.00000
Cs5 Cs 0.35835 0.55059 0.17344 1.00000
Cs6 Cs 0.14165 0.05059 0.32656 1.00000
Cs7 Cs 0.64165 0.44941 0.82656 1.00000
Cs8 Cs 0.85835 0.94941 0.67344 1.00000
Cs9 Cs 0.80454 0.65754 0.12957 1.00000
Cs10 Cs 0.69546 0.15754 0.37043 1.00000
Cs11 Cs 0.19546 0.34246 0.87043 1.00000
Cs12 Cs 0.30454 0.84246 0.62957 1.00000
Sb1 Sb 0.78850 0.79617 0.35657 1.00000
Sb2 Sb 0.71150 0.29617 0.14343 1.00000
Sb3 Sb 0.21150 0.20383 0.64343 1.00000
Sb4 Sb 0.28850 0.70383 0.85657 1.00000
Sb5 Sb 0.34576 0.72176 0.39808 1.00000
Sb6 Sb 0.15424 0.22176 0.10192 1.00000
Sb7 Sb 0.65424 0.27824 0.60192 1.00000
Sb8 Sb 0.84576 0.77824 0.89808 1.00000
As1 As 0.51740 0.86269 0.35847 1.00000
As2 As 0.98260 0.36269 0.14153 1.00000
As3 As 0.48260 0.13731 0.64153 1.00000
As4 As 0.01740 0.63731 0.85847 1.00000
