Sr5As2P
Alexandria ALEXAlex-ID: agm044998786 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_2339_spg62
Sr5As3 Sr3AsP Sr
2025-03-02 02:03:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044998786).
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 agm044998786
data_agm044998786
_cell_length_a 8.39275
_cell_length_b 9.41220
_cell_length_c 12.92256
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1020.80858
_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
Sr1 Sr 0.53792 0.75000 0.00222 1.00000
Sr2 Sr 0.46208 0.25000 0.99778 1.00000
Sr3 Sr 0.03792 0.25000 0.49778 1.00000
Sr4 Sr 0.96208 0.75000 0.50222 1.00000
Sr5 Sr 0.82331 0.46653 0.91144 1.00000
Sr6 Sr 0.17669 0.53347 0.08856 1.00000
Sr7 Sr 0.32331 0.53347 0.58856 1.00000
Sr8 Sr 0.17669 0.96653 0.08856 1.00000
Sr9 Sr 0.67669 0.46653 0.41144 1.00000
Sr10 Sr 0.82331 0.03347 0.91144 1.00000
Sr11 Sr 0.67669 0.03347 0.41144 1.00000
Sr12 Sr 0.32331 0.96653 0.58856 1.00000
Sr13 Sr 0.67999 0.75000 0.71563 1.00000
Sr14 Sr 0.32001 0.25000 0.28437 1.00000
Sr15 Sr 0.17999 0.25000 0.78437 1.00000
Sr16 Sr 0.82001 0.75000 0.21563 1.00000
Sr17 Sr 0.15685 0.75000 0.80578 1.00000
Sr18 Sr 0.84315 0.25000 0.19422 1.00000
Sr19 Sr 0.65685 0.25000 0.69422 1.00000
Sr20 Sr 0.34315 0.75000 0.30578 1.00000
As1 As 0.95214 0.00757 0.67421 1.00000
As2 As 0.04786 0.99243 0.32579 1.00000
As3 As 0.45214 0.99243 0.82579 1.00000
As4 As 0.04786 0.50757 0.32579 1.00000
As5 As 0.54786 0.00757 0.17421 1.00000
As6 As 0.95214 0.49243 0.67421 1.00000
As7 As 0.54786 0.49243 0.17421 1.00000
As8 As 0.45214 0.50757 0.82579 1.00000
P1 P 0.92683 0.75000 0.98892 1.00000
P2 P 0.07317 0.25000 0.01108 1.00000
P3 P 0.42683 0.25000 0.51108 1.00000
P4 P 0.57317 0.75000 0.48892 1.00000
