ReAs
Alexandria ALEXAlex-ID: agm005461822 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB_1532_spg8
Re3As7 Re
2023-03-18 06:11:56.175707
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005461822).
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 agm005461822
data_agm005461822
_cell_length_a 5.54581
_cell_length_b 5.54581
_cell_length_c 5.99981
_cell_angle_alpha 81.77559
_cell_angle_beta 81.77559
_cell_angle_gamma 31.87964
_cell_volume 96.37257
_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 0.99711 0.99711 0.03461 1.00000
Re2 Re 0.94229 0.94229 0.59336 1.00000
Re3 Re 0.29647 0.29647 0.91127 1.00000
As1 As 0.34617 0.34617 0.32338 1.00000
As2 As 0.61925 0.61925 0.73025 1.00000
As3 As 0.63203 0.63203 0.24047 1.00000
