Cs2SbH7
Alexandria ALEXAlex-ID: agm006205193 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_484_spg166
CsH10 CsH3 CsSb
2023-12-04 15:31:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006205193).
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 agm006205193
data_agm006205193
_cell_length_a 5.93390
_cell_length_b 5.93575
_cell_length_c 9.67216
_cell_angle_alpha 107.03972
_cell_angle_beta 72.80301
_cell_angle_gamma 119.95936
_cell_volume 277.57371
_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 0.37589 0.95481 0.78380 1.00000
Cs2 Cs 0.57065 0.75729 0.20975 1.00000
H1 H 0.08216 0.68462 0.10966 1.00000
H2 H 0.86432 0.02740 0.88394 1.00000
H3 H 0.30252 0.46532 0.88362 1.00000
H4 H 0.08174 0.24707 0.11142 1.00000
H5 H 0.47330 0.85327 0.49692 1.00000
H6 H 0.64389 0.24665 0.11001 1.00000
H7 H 0.86469 0.46495 0.88223 1.00000
Sb1 Sb 0.97322 0.35600 0.99680 1.00000
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