Cs4PH
Alexandria ALEXAlex-ID: agm007353038 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1179_spg14
Cs5P4 Cs CsH
2025-01-14 17:53:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007353038).
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 agm007353038
data_agm007353038
_cell_length_a 9.74327
_cell_length_b 9.74327
_cell_length_c 11.31754
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 138.59992
_cell_volume 710.50714
_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 0.90263 0.09737 0.25000 1.00000
Cs2 Cs 0.09737 0.90263 0.75000 1.00000
Cs3 Cs 0.25754 0.74246 0.25000 1.00000
Cs4 Cs 0.74246 0.25754 0.75000 1.00000
Cs5 Cs 0.40203 0.59797 0.92825 1.00000
Cs6 Cs 0.59797 0.40203 0.42825 1.00000
Cs7 Cs 0.40203 0.59797 0.57175 1.00000
Cs8 Cs 0.59797 0.40203 0.07175 1.00000
P1 P 0.44158 0.55842 0.25000 1.00000
P2 P 0.55842 0.44158 0.75000 1.00000
H1 H 0.72979 0.27021 0.25000 1.00000
H2 H 0.27021 0.72979 0.75000 1.00000
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