VOs2Rh
Alexandria ALEXAlex-ID: agm005686029 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_963_spg63
V5Os3 VOs5 VRh3
2023-07-13 17:47:29.837093
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686029).
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 agm005686029
data_agm005686029
_cell_length_a 2.75082
_cell_length_b 6.11517
_cell_length_c 7.05665
_cell_angle_alpha 89.99999
_cell_angle_beta 90.00007
_cell_angle_gamma 102.99803
_cell_volume 115.66359
_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
V1 V 0.95403 0.90807 0.25000 1.00000
V2 V 0.04597 0.09193 0.75000 1.00000
Os1 Os 0.39525 0.79049 0.93718 1.00000
Os2 Os 0.60475 0.20951 0.06282 1.00000
Os3 Os 0.60475 0.20951 0.43718 1.00000
Os4 Os 0.39525 0.79049 0.56282 1.00000
Rh1 Rh 0.26402 0.52805 0.25000 1.00000
Rh2 Rh 0.73598 0.47195 0.75000 1.00000
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