Cs2AlGaSe4
Alexandria ALEXAlex-ID: agm020028244 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_114_spg70
CsGaSe2 CsAlSe2
2024-11-01 12:39:39.857503
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020028244).
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 agm020028244
data_agm020028244
_cell_length_a 14.79392
_cell_length_b 13.20136
_cell_length_c 7.97566
_cell_angle_alpha 84.81590
_cell_angle_beta 62.71043
_cell_angle_gamma 32.47367
_cell_volume 582.39740
_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 0.17942 0.17942 0.82058 1.00000
Cs2 Cs 0.82058 0.82058 0.17942 1.00000
Cs3 Cs 0.07058 0.07058 0.42942 1.00000
Cs4 Cs 0.42942 0.42942 0.07058 1.00000
Al1 Al 0.75000 0.75000 0.75000 1.00000
Al2 Al 0.50000 0.50000 0.50000 1.00000
Ga1 Ga 0.25000 0.25000 0.25000 1.00000
Ga2 Ga 0.00000 0.00000 0.00000 1.00000
Se1 Se 0.11001 0.78670 0.70853 1.00000
Se2 Se 0.39475 0.70853 0.78670 1.00000
Se3 Se 0.70853 0.39475 0.11001 1.00000
Se4 Se 0.78670 0.11001 0.39475 1.00000
Se5 Se 0.13999 0.46330 0.54147 1.00000
Se6 Se 0.85525 0.54147 0.46330 1.00000
Se7 Se 0.54147 0.85525 0.13999 1.00000
Se8 Se 0.46330 0.13999 0.85525 1.00000
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