LiVInH6
Alexandria ALEXAlex-ID: agm006998630 · Space group: P6_3/mmc (#194)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_647_spg15
LiH LiH9 VH2 InH2
2024-01-28 01:44:01.359117
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006998630).
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 agm006998630
data_agm006998630
_cell_length_a 4.71421
_cell_length_b 4.71421
_cell_length_c 9.23723
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 177.78308
_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 0.00000 0.00000 0.00000 1.00000
Li2 Li 0.00000 0.00000 0.50000 1.00000
V1 V 0.66667 0.33333 0.25000 1.00000
V2 V 0.33333 0.66667 0.75000 1.00000
In1 In 0.33333 0.66667 0.25000 1.00000
In2 In 0.66667 0.33333 0.75000 1.00000
H1 H 0.52723 0.47277 0.10986 1.00000
H2 H 0.94553 0.47277 0.10986 1.00000
H3 H 0.47277 0.94553 0.60986 1.00000
H4 H 0.05447 0.52723 0.89014 1.00000
H5 H 0.52723 0.47277 0.39014 1.00000
H6 H 0.94553 0.47277 0.39014 1.00000
H7 H 0.47277 0.94553 0.89014 1.00000
H8 H 0.52723 0.05447 0.39014 1.00000
H9 H 0.05447 0.52723 0.60986 1.00000
H10 H 0.52723 0.05447 0.10986 1.00000
H11 H 0.47277 0.52723 0.60986 1.00000
H12 H 0.47277 0.52723 0.89014 1.00000
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