V2Ga2H7
Alexandria ALEXAlex-ID: agm006352292 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_329_spg12
GaH6 V8Ga41 VH2
2024-02-24 21:30:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006352292).
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 agm006352292
data_agm006352292
_cell_length_a 4.89249
_cell_length_b 4.89249
_cell_length_c 5.73562
_cell_angle_alpha 58.52167
_cell_angle_beta 58.52167
_cell_angle_gamma 64.13222
_cell_volume 97.29604
_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 0.22656 0.22656 0.99065 1.00000
V2 V 0.77344 0.77344 0.00935 1.00000
Ga1 Ga 0.74970 0.25030 0.50000 1.00000
Ga2 Ga 0.25030 0.74970 0.50000 1.00000
H1 H 0.50136 0.89851 0.84167 1.00000
H2 H 0.10149 0.49864 0.15833 1.00000
H3 H 0.49864 0.10149 0.15833 1.00000
H4 H 0.89851 0.50136 0.84167 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
H6 H 0.52386 0.52386 0.16433 1.00000
H7 H 0.47614 0.47614 0.83567 1.00000
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