Re3AsP5
Alexandria ALEXAlex-ID: agm048983102 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_544_spg10
Re2P5 Re3P4 As
2024-09-13 12:43:19.551250
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm048983102).
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 agm048983102
data_agm048983102
_cell_length_a 2.88286
_cell_length_b 5.34306
_cell_length_c 18.47328
_cell_angle_alpha 89.31164
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 284.52850
_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
Re1 Re 0.00000 0.00000 0.50000 1.00000
Re2 Re 0.00000 0.00883 0.83701 1.00000
Re3 Re 0.00000 0.99117 0.16299 1.00000
Re4 Re 0.50000 0.48792 0.66517 1.00000
Re5 Re 0.50000 0.50000 0.00000 1.00000
Re6 Re 0.50000 0.51208 0.33483 1.00000
As1 As 0.00000 0.15811 0.29136 1.00000
As2 As 0.00000 0.84189 0.70864 1.00000
P1 P 0.50000 0.34243 0.79376 1.00000
P2 P 0.50000 0.33660 0.45877 1.00000
P3 P 0.50000 0.33093 0.12438 1.00000
P4 P 0.00000 0.17339 0.62089 1.00000
P5 P 0.00000 0.16640 0.95999 1.00000
P6 P 0.00000 0.83360 0.04001 1.00000
P7 P 0.00000 0.82661 0.37911 1.00000
P8 P 0.50000 0.66340 0.54123 1.00000
P9 P 0.50000 0.66907 0.87562 1.00000
P10 P 0.50000 0.65757 0.20624 1.00000
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