LiV(CuH3)2
Alexandria ALEXAlex-ID: agm007463018 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_446_spg15
VH2 Li3CuH4 Cu CuH4
2024-02-08 11:30:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007463018).
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 agm007463018
data_agm007463018
_cell_length_a 5.61198
_cell_length_b 5.61198
_cell_length_c 5.33517
_cell_angle_alpha 102.12317
_cell_angle_beta 102.12317
_cell_angle_gamma 110.51141
_cell_volume 146.30020
_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 0.32172 0.67828 0.75000 1.00000
Li2 Li 0.67828 0.32172 0.25000 1.00000
V1 V 0.77230 0.22770 0.75000 1.00000
V2 V 0.22770 0.77230 0.25000 1.00000
Cu1 Cu 0.73593 0.84228 0.19418 1.00000
Cu2 Cu 0.15772 0.26407 0.30582 1.00000
Cu3 Cu 0.26407 0.15772 0.80582 1.00000
Cu4 Cu 0.84228 0.73593 0.69418 1.00000
H1 H 0.00997 0.60448 0.88619 1.00000
H2 H 0.39552 0.99003 0.61381 1.00000
H3 H 0.99003 0.39552 0.11381 1.00000
H4 H 0.60448 0.00997 0.38619 1.00000
H5 H 0.72464 0.92508 0.87918 1.00000
H6 H 0.07492 0.27536 0.62082 1.00000
H7 H 0.27536 0.07492 0.12082 1.00000
H8 H 0.92508 0.72464 0.37918 1.00000
H9 H 0.64127 0.40755 0.57291 1.00000
H10 H 0.59245 0.35873 0.92709 1.00000
H11 H 0.35873 0.59245 0.42709 1.00000
H12 H 0.40755 0.64127 0.07291 1.00000
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