As2P3
Alexandria ALEXAlex-ID: agm005506465 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_587_spg43
P As
2023-03-20 12:22:00.211663
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005506465).
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 agm005506465
data_agm005506465
_cell_length_a 8.29387
_cell_length_b 6.92088
_cell_length_c 5.99133
_cell_angle_alpha 79.57480
_cell_angle_beta 55.15321
_cell_angle_gamma 45.27199
_cell_volume 185.53419
_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
As1 As 0.68266 0.18164 0.67696 1.00000
As2 As 0.45874 0.67696 0.18164 1.00000
As3 As 0.57304 0.79126 0.56734 1.00000
As4 As 0.06836 0.56734 0.79126 1.00000
P1 P 0.15103 0.21987 0.01299 1.00000
P2 P 0.61611 0.01299 0.21987 1.00000
P3 P 0.23701 0.63389 0.09897 1.00000
P4 P 0.03013 0.09897 0.63389 1.00000
P5 P 0.09146 0.40854 0.40854 1.00000
P6 P 0.84146 0.15854 0.15854 1.00000
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