LaCuH4
Alexandria ALEXAlex-ID: agm007359110 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_49_spg63
LaCuH4
2024-02-09 04:41:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007359110).
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 agm007359110
data_agm007359110
_cell_length_a 6.95582
_cell_length_b 4.19575
_cell_length_c 4.86464
_cell_angle_alpha 87.67310
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 141.85691
_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
La1 La 0.25000 0.24787 0.82399 1.00000
La2 La 0.75000 0.75213 0.17601 1.00000
Cu1 Cu 0.25000 0.69016 0.28732 1.00000
Cu2 Cu 0.75000 0.30984 0.71268 1.00000
H1 H 0.25000 0.76873 0.60596 1.00000
H2 H 0.75000 0.23127 0.39404 1.00000
H3 H 0.25000 0.29476 0.32564 1.00000
H4 H 0.75000 0.70524 0.67436 1.00000
H5 H 0.91106 0.23340 0.95025 1.00000
H6 H 0.41106 0.76660 0.04975 1.00000
H7 H 0.58894 0.23340 0.95025 1.00000
H8 H 0.08894 0.76660 0.04975 1.00000
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