Cs2AsP
Alexandria ALEXAlex-ID: agm005493748 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_1069_spg122
Cs5As4 Cs3As Cs2P3
2023-03-19 03:15:42.458877
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005493748).
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 agm005493748
data_agm005493748
_cell_length_a 9.92211
_cell_length_b 9.92211
_cell_length_c 9.92211
_cell_angle_alpha 93.33316
_cell_angle_beta 93.33316
_cell_angle_gamma 152.09398
_cell_volume 443.68199
_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 0.67179 0.37500 0.79679 1.00000
Cs2 Cs 0.57821 0.87500 0.20321 1.00000
Cs3 Cs 0.12500 0.32821 0.70321 1.00000
Cs4 Cs 0.62500 0.42179 0.29679 1.00000
As1 As 0.00000 0.00000 0.00000 1.00000
As2 As 0.25000 0.75000 0.50000 1.00000
P1 P 0.50000 0.50000 0.00000 1.00000
P2 P 0.75000 0.25000 0.50000 1.00000
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