Cs3(AsH2)2
Alexandria ALEXAlex-ID: agm007256732 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_787_spg2
CsAsH2 CsAsH8 Cs2AsH
2025-01-14 17:16:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007256732).
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 agm007256732
data_agm007256732
_cell_length_a 4.99124
_cell_length_b 6.02041
_cell_length_c 9.64300
_cell_angle_alpha 108.17811
_cell_angle_beta 90.12121
_cell_angle_gamma 90.07643
_cell_volume 275.30269
_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 0.99913 0.67242 0.34390 1.00000
Cs2 Cs 0.00000 0.00000 0.00000 1.00000
Cs3 Cs 0.00087 0.32758 0.65610 1.00000
As1 As 0.50050 0.83127 0.66288 1.00000
As2 As 0.49950 0.16873 0.33712 1.00000
H1 H 0.50221 0.07661 0.78518 1.00000
H2 H 0.49779 0.92339 0.21482 1.00000
H3 H 0.49904 0.29275 0.21532 1.00000
H4 H 0.50096 0.70725 0.78468 1.00000
Get direct link