Mg3VH8
Alexandria ALEXAlex-ID: agm007417005 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_370_spg8
VH2 MgH2
2024-03-16 03:34:54.594064
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007417005).
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 agm007417005
data_agm007417005
_cell_length_a 4.74010
_cell_length_b 5.01643
_cell_length_c 5.59286
_cell_angle_alpha 73.02504
_cell_angle_beta 75.45054
_cell_angle_gamma 74.09915
_cell_volume 120.18991
_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
Mg1 Mg 0.00000 0.00000 0.50000 1.00000
Mg2 Mg 0.57634 0.63224 0.20196 1.00000
Mg3 Mg 0.42366 0.36776 0.79804 1.00000
V1 V 0.00000 0.00000 0.00000 1.00000
H1 H 0.21484 0.13465 0.69396 1.00000
H2 H 0.74694 0.35016 0.97032 1.00000
H3 H 0.76207 0.89045 0.85789 1.00000
H4 H 0.78516 0.86535 0.30604 1.00000
H5 H 0.25306 0.64984 0.02968 1.00000
H6 H 0.23793 0.10955 0.14211 1.00000
H7 H 0.71322 0.33705 0.47797 1.00000
H8 H 0.28678 0.66295 0.52203 1.00000
Get direct link