Cs2SbH
Alexandria ALEXAlex-ID: agm006645331 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_234_spg122
Cs5Sb4 CsH2 CsH
2024-03-16 23:27:49.288806
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006645331).
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
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# CIF generated by HEAS from Alexandria entry agm006645331
data_agm006645331
_cell_length_a 5.26925
_cell_length_b 5.26925
_cell_length_c 12.00639
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 92.33490
_cell_volume 333.08040
_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 0.24514 0.75486 0.40639 1.00000
Cs2 Cs 0.75486 0.24514 0.59361 1.00000
Cs3 Cs 0.75486 0.24514 0.90639 1.00000
Cs4 Cs 0.24514 0.75486 0.09361 1.00000
Sb1 Sb 0.78727 0.21273 0.25000 1.00000
Sb2 Sb 0.21273 0.78727 0.75000 1.00000
H1 H 0.55688 0.44312 0.25000 1.00000
H2 H 0.44312 0.55688 0.75000 1.00000
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