LaReH8
Alexandria ALEXAlex-ID: agm080961593 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC8_359_spg79
LaReH8
2025-02-26 17:45:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm080961593).
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 agm080961593
data_agm080961593
_cell_length_a 5.05799
_cell_length_b 5.05799
_cell_length_c 4.81129
_cell_angle_alpha 61.59938
_cell_angle_beta 118.40062
_cell_angle_gamma 123.20367
_cell_volume 86.63833
_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 0.57435 0.42565 0.67344 1.00000
Re1 Re 0.99350 0.00650 0.09261 1.00000
H1 H 0.41742 0.18314 0.21618 1.00000
H2 H 0.65643 0.92374 0.17546 1.00000
H3 H 0.81686 0.58258 0.21618 1.00000
H4 H 0.07626 0.34357 0.17546 1.00000
H5 H 0.11705 0.88295 0.91578 1.00000
H6 H 0.65628 0.92371 0.75553 1.00000
H7 H 0.07629 0.34372 0.75553 1.00000
H8 H 0.11711 0.88289 0.51655 1.00000
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