LiV(H4Pd)2
Alexandria ALEXAlex-ID: agm007205388 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_227_spg1
LiH2Pd VH2 H4Pd
2025-05-27 07:50:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007205388).
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 agm007205388
data_agm007205388
_cell_length_a 4.38071
_cell_length_b 5.41339
_cell_length_c 4.93003
_cell_angle_alpha 85.18848
_cell_angle_beta 63.78769
_cell_angle_gamma 65.99084
_cell_volume 95.15758
_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
V1 V 0.50000 0.50000 0.50000 1.00000
H1 H 0.52443 0.78183 0.65678 1.00000
H2 H 0.21244 0.32464 0.76510 1.00000
H3 H 0.47557 0.21817 0.34322 1.00000
H4 H 0.03772 0.78168 0.65222 1.00000
H5 H 0.96228 0.21832 0.34778 1.00000
H6 H 0.69685 0.31013 0.76025 1.00000
H7 H 0.30315 0.68987 0.23975 1.00000
H8 H 0.78756 0.67536 0.23490 1.00000
Pd1 Pd 0.70874 0.66731 0.91762 1.00000
Pd2 Pd 0.29126 0.33269 0.08238 1.00000
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