LiVH4
Alexandria ALEXAlex-ID: agm096770529 · Space group: Pmmn (#59)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_193_spg4
LiH9 VH2 LiH
2025-05-26 22:40:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096770529).
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 agm096770529
data_agm096770529
_cell_length_a 3.04569
_cell_length_b 3.45891
_cell_length_c 6.79182
_cell_angle_alpha 89.99969
_cell_angle_beta 89.97993
_cell_angle_gamma 90.00145
_cell_volume 71.55035
_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
Li1 Li 0.74975 0.75000 0.40864 1.00000
Li2 Li 0.25025 0.25000 0.59136 1.00000
V1 V 0.75013 0.74999 0.85422 1.00000
V2 V 0.24987 0.25001 0.14578 1.00000
H1 H 0.24976 0.74998 0.26492 1.00000
H2 H 0.74932 0.25000 0.32796 1.00000
H3 H 0.75024 0.25002 0.73508 1.00000
H4 H 0.25068 0.75000 0.67204 1.00000
H5 H 0.25010 0.01247 0.91471 1.00000
H6 H 0.74990 0.98753 0.08529 1.00000
H7 H 0.74990 0.51249 0.08530 1.00000
H8 H 0.25010 0.48751 0.91470 1.00000
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