RbLa(H3Rh)2
Alexandria ALEXAlex-ID: agm007759856 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_2608_spg2
Rb3H6Rh LaH4Rh Rb3H9Rh2 LaRh3
2024-03-16 01:45:00.156294
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007759856).
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 agm007759856
data_agm007759856
_cell_length_a 5.09411
_cell_length_b 7.13176
_cell_length_c 9.41558
_cell_angle_alpha 110.35894
_cell_angle_beta 104.29839
_cell_angle_gamma 86.31031
_cell_volume 310.67733
_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
Rb1 Rb 0.89940 0.47535 0.19934 1.00000
Rb2 Rb 0.10060 0.52465 0.80066 1.00000
La1 La 0.39922 0.02054 0.28702 1.00000
La2 La 0.60078 0.97946 0.71298 1.00000
H1 H 0.73082 0.48063 0.48910 1.00000
H2 H 0.49547 0.17626 0.08493 1.00000
H3 H 0.26918 0.51937 0.51090 1.00000
H4 H 0.50453 0.82374 0.91507 1.00000
H5 H 0.67732 0.78588 0.40374 1.00000
H6 H 0.92124 0.11096 0.26092 1.00000
H7 H 0.32268 0.21412 0.59626 1.00000
H8 H 0.07876 0.88904 0.73908 1.00000
H9 H 0.23841 0.81271 0.42091 1.00000
H10 H 0.95644 0.80290 0.11216 1.00000
H11 H 0.76159 0.18729 0.57909 1.00000
H12 H 0.04356 0.19710 0.88784 1.00000
Rh1 Rh 0.26703 0.02673 0.90616 1.00000
Rh2 Rh 0.51592 0.33443 0.53819 1.00000
Rh3 Rh 0.73297 0.97327 0.09384 1.00000
Rh4 Rh 0.48408 0.66557 0.46181 1.00000
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