VH8Os3
Alexandria ALEXAlex-ID: agm007201373 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_330_spg2
Os VH2 H2
2024-03-16 07:05:08.890694
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007201373).
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
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# CIF generated by HEAS from Alexandria entry agm007201373
data_agm007201373
_cell_length_a 5.50680
_cell_length_b 4.39317
_cell_length_c 5.09476
_cell_angle_alpha 118.37390
_cell_angle_beta 119.45727
_cell_angle_gamma 93.38414
_cell_volume 87.26218
_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 0.50000 0.00000 0.50000 1.00000
H1 H 0.31292 0.89088 0.01279 1.00000
H2 H 0.38995 0.59799 0.67842 1.00000
H3 H 0.68708 0.10912 0.98721 1.00000
H4 H 0.78481 0.04212 0.39604 1.00000
H5 H 0.21519 0.95788 0.60396 1.00000
H6 H 0.21920 0.41027 0.11051 1.00000
H7 H 0.78080 0.58973 0.88949 1.00000
H8 H 0.61005 0.40201 0.32158 1.00000
Os1 Os 0.00000 0.00000 0.00000 1.00000
Os2 Os 0.17652 0.39161 0.72508 1.00000
Os3 Os 0.82348 0.60839 0.27492 1.00000
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