Re3Os4
Alexandria ALEXAlex-ID: agm005488403 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4_210_spg12
ReOs3 ReOs
2023-03-18 01:11:22.094847
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005488403).
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 agm005488403
data_agm005488403
_cell_length_a 9.45762
_cell_length_b 9.45762
_cell_length_c 2.72836
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 154.86108
_cell_volume 103.67266
_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 0.50000 0.50000 0.50000 1.00000
Re2 Re 0.78796 0.21204 0.00000 1.00000
Re3 Re 0.21204 0.78796 0.00000 1.00000
Os1 Os 0.65052 0.34948 0.50000 1.00000
Os2 Os 0.07321 0.92679 0.00000 1.00000
Os3 Os 0.92679 0.07321 0.00000 1.00000
Os4 Os 0.34948 0.65052 0.50000 1.00000
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