Rb3ErH5
Alexandria ALEXAlex-ID: agm072170494 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1058_spg1
ErH3 Rb RbH
2024-09-24 11:29:22.064054
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072170494).
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 agm072170494
data_agm072170494
_cell_length_a 3.67983
_cell_length_b 7.71740
_cell_length_c 7.68460
_cell_angle_alpha 83.25884
_cell_angle_beta 76.37313
_cell_angle_gamma 76.50153
_cell_volume 205.78105
_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 0.34441 0.85238 0.35133 1.00000
Rb2 Rb 0.70823 0.48773 0.97763 1.00000
Rb3 Rb 0.51048 0.37033 0.50042 1.00000
Er1 Er 0.05251 0.95564 0.82911 1.00000
H1 H 0.52734 0.86511 0.97041 1.00000
H2 H 0.23071 0.69458 0.72825 1.00000
H3 H 0.63350 0.97406 0.64712 1.00000
H4 H 0.02318 0.57744 0.26445 1.00000
H5 H 0.96964 0.22273 0.73128 1.00000
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