VNi2H8Os
Alexandria ALEXAlex-ID: agm007156840 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_394_spg2
Ni3H4 NiH4 VH2 Os
2024-10-14 17:57:05.729025
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007156840).
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 agm007156840
data_agm007156840
_cell_length_a 4.58655
_cell_length_b 4.50867
_cell_length_c 4.56219
_cell_angle_alpha 108.67660
_cell_angle_beta 110.64805
_cell_angle_gamma 72.09052
_cell_volume 81.59375
_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 0.50000 0.00000 1.00000
Ni1 Ni 0.82699 0.41442 0.59467 1.00000
Ni2 Ni 0.17301 0.58558 0.40533 1.00000
H1 H 0.25627 0.26815 0.11145 1.00000
H2 H 0.68651 0.16136 0.69784 1.00000
H3 H 0.74373 0.73185 0.88855 1.00000
H4 H 0.78903 0.67148 0.39745 1.00000
H5 H 0.21097 0.32852 0.60255 1.00000
H6 H 0.72202 0.14897 0.22572 1.00000
H7 H 0.27798 0.85103 0.77428 1.00000
H8 H 0.31349 0.83864 0.30216 1.00000
Os1 Os 0.00000 0.00000 0.00000 1.00000
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