Cs2Ac(BeSe2)2
Alexandria ALEXAlex-ID: agm004559622 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_191_spg12
CsAcSe2 Cs2BeSe2 Be BeSe
2022-06-19 10:32:44.081381
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004559622).
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 agm004559622
data_agm004559622
_cell_length_a 4.06356
_cell_length_b 9.08541
_cell_length_c 8.36639
_cell_angle_alpha 112.84210
_cell_angle_beta 104.05484
_cell_angle_gamma 90.00000
_cell_volume 274.59589
_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 0.13254 0.55551 0.26508 1.00000
Cs2 Cs 0.86746 0.44449 0.73492 1.00000
Ac1 Ac 0.00000 0.00000 0.00000 1.00000
Be1 Be 0.67225 0.96503 0.34449 1.00000
Be2 Be 0.32775 0.03497 0.65551 1.00000
Se1 Se 0.20922 0.11967 0.41845 1.00000
Se2 Se 0.79078 0.88033 0.58155 1.00000
Se3 Se 0.53665 0.76612 0.07331 1.00000
Se4 Se 0.46335 0.23388 0.92669 1.00000
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