V6MoOs5
Alexandria ALEXAlex-ID: agm006113386 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_47_spg65
V5Os3 V3MoOs2 VOs5
2023-09-11 06:48:31.752839
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006113386).
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 agm006113386
data_agm006113386
_cell_length_a 4.28440
_cell_length_b 6.04630
_cell_length_c 6.77976
_cell_angle_alpha 90.00016
_cell_angle_beta 108.41871
_cell_angle_gamma 90.00040
_cell_volume 166.63115
_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
Mo1 Mo 0.00000 0.00000 0.00000 1.00000
Os1 Os 0.66743 0.50000 0.33514 1.00000
Os2 Os 0.33209 1.00000 0.66387 1.00000
Os3 Os 0.00000 0.50000 0.00000 1.00000
Os4 Os 0.66791 0.00000 0.33613 1.00000
Os5 Os 0.33257 0.50000 0.66486 1.00000
V1 V 0.83542 0.75239 0.67036 1.00000
V2 V 0.83542 0.24760 0.67036 1.00000
V3 V 0.50000 0.24720 0.00000 1.00000
V4 V 0.50000 0.75280 1.00000 1.00000
V5 V 0.16458 0.75240 0.32964 1.00000
V6 V 0.16458 0.24761 0.32964 1.00000
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