Cs3Sb5As2
Alexandria ALEXAlex-ID: agm003344693 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_105_spg72
CsSb2 Cs3As7 Sb
2022-01-30 08:26:16.074895
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003344693).
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 agm003344693
data_agm003344693
_cell_length_a 7.72369
_cell_length_b 10.86490
_cell_length_c 10.86490
_cell_angle_alpha 65.75965
_cell_angle_beta 69.17947
_cell_angle_gamma 69.17945
_cell_volume 753.22950
_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 0.25000 0.00000 0.00000 1.00000
Cs2 Cs 0.75000 0.00000 0.00000 1.00000
Cs3 Cs 0.36819 0.39158 0.87203 1.00000
Cs4 Cs 0.63181 0.60842 0.12797 1.00000
Cs5 Cs 0.86819 0.87203 0.39158 1.00000
Cs6 Cs 0.13181 0.12797 0.60842 1.00000
Sb1 Sb 0.25000 0.50000 0.50000 1.00000
Sb2 Sb 0.75000 0.50000 0.50000 1.00000
Sb3 Sb 0.48765 0.76235 0.76235 1.00000
Sb4 Sb 0.01235 0.23765 0.23765 1.00000
Sb5 Sb 0.51235 0.23765 0.23765 1.00000
Sb6 Sb 0.98765 0.76235 0.76235 1.00000
Sb7 Sb 0.13141 0.47240 0.26478 1.00000
Sb8 Sb 0.86859 0.52760 0.73522 1.00000
Sb9 Sb 0.63141 0.26478 0.47240 1.00000
Sb10 Sb 0.36859 0.73522 0.52760 1.00000
As1 As 0.16086 0.69825 0.98003 1.00000
As2 As 0.83914 0.30175 0.01997 1.00000
As3 As 0.66086 0.98003 0.69825 1.00000
As4 As 0.33914 0.01997 0.30175 1.00000
