Cs3SbSe3
Alexandria ALEXAlex-ID: agm071023969 · Space group: P2_12_12_1 (#19)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_2932_spg1
Cs3SbSe3
2025-03-02 05:36:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071023969).
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 agm071023969
data_agm071023969
_cell_length_a 9.35765
_cell_length_b 10.23387
_cell_length_c 15.42371
_cell_angle_alpha 90.00560
_cell_angle_beta 90.01277
_cell_angle_gamma 90.00699
_cell_volume 1477.05228
_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 0.43019 0.90827 0.29231 1.00000
Cs2 Cs 0.92997 0.59141 0.70752 1.00000
Cs3 Cs 0.07001 0.09173 0.79238 1.00000
Cs4 Cs 0.56969 0.40806 0.20769 1.00000
Cs5 Cs 0.57659 0.80387 0.95873 1.00000
Cs6 Cs 0.42364 0.30336 0.54116 1.00000
Cs7 Cs 0.07639 0.69686 0.04116 1.00000
Cs8 Cs 0.92348 0.19597 0.45866 1.00000
Cs9 Cs 0.82347 0.72849 0.41486 1.00000
Cs10 Cs 0.67637 0.27151 0.91480 1.00000
Cs11 Cs 0.17648 0.22914 0.08527 1.00000
Cs12 Cs 0.32345 0.77097 0.58510 1.00000
Sb1 Sb 0.21328 0.50898 0.35965 1.00000
Sb2 Sb 0.71346 0.99030 0.64031 1.00000
Sb3 Sb 0.28670 0.49079 0.85981 1.00000
Sb4 Sb 0.78657 0.01003 0.14035 1.00000
Se1 Se 0.90851 0.00065 0.98998 1.00000
Se2 Se 0.40851 0.50041 0.01025 1.00000
Se3 Se 0.59148 0.99951 0.48990 1.00000
Se4 Se 0.09146 0.49973 0.51008 1.00000
Se5 Se 0.03013 0.41726 0.90151 1.00000
Se6 Se 0.97000 0.91676 0.59856 1.00000
Se7 Se 0.52995 0.08311 0.09841 1.00000
Se8 Se 0.46973 0.58283 0.40143 1.00000
Se9 Se 0.74590 0.23309 0.67993 1.00000
Se10 Se 0.75449 0.76725 0.17999 1.00000
Se11 Se 0.25421 0.73347 0.82006 1.00000
Se12 Se 0.24590 0.26618 0.32013 1.00000
