VGa2H7
Alexandria ALEXAlex-ID: agm006201070 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_484_spg166
GaH6 V8Ga41 VH2
2024-02-01 14:17:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201070).
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 agm006201070
data_agm006201070
_cell_length_a 4.43072
_cell_length_b 4.87703
_cell_length_c 6.37032
_cell_angle_alpha 111.56326
_cell_angle_beta 69.31855
_cell_angle_gamma 122.73448
_cell_volume 105.57008
_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
H1 H 0.01293 0.67111 0.21384 1.00000
H2 H 0.76994 0.99812 0.76229 1.00000
H3 H 0.46361 0.50098 0.99107 1.00000
H4 H 0.96889 0.03867 0.10746 1.00000
H5 H 0.47851 0.88792 0.47146 1.00000
H6 H 0.57057 0.24006 0.17587 1.00000
H7 H 0.13488 0.55856 0.76729 1.00000
Ga1 Ga 0.34819 0.98034 0.78777 1.00000
Ga2 Ga 0.48678 0.85899 0.20751 1.00000
V1 V 0.99810 0.32263 0.98360 1.00000
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