LaH4RuAu2
Alexandria ALEXAlex-ID: agm007124465 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_34_spg82
LaAu6 LaH5Ru Au Ru
2024-05-29 07:20:03.845346
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007124465).
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 agm007124465
data_agm007124465
_cell_length_a 4.78571
_cell_length_b 5.29770
_cell_length_c 4.92365
_cell_angle_alpha 110.22568
_cell_angle_beta 115.10672
_cell_angle_gamma 90.25839
_cell_volume 104.37363
_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 0.48331 0.01155 0.45317 1.00000
H1 H 0.95164 0.88680 0.36015 1.00000
H2 H 0.85397 0.33652 0.03419 1.00000
H3 H 0.60476 0.93914 0.96585 1.00000
H4 H 0.50182 0.50347 0.56833 1.00000
Ru1 Ru 0.70692 0.63776 0.97560 1.00000
Au1 Au 0.06221 0.71236 0.65468 1.00000
Au2 Au 0.22243 0.35945 0.98803 1.00000
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