Rb2ErH7
Alexandria ALEXAlex-ID: agm006201831 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_796_spg12
RbH7 ErH3 RbH
2023-12-01 19:57:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201831).
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 agm006201831
data_agm006201831
_cell_length_a 6.35286
_cell_length_b 6.35487
_cell_length_c 8.97431
_cell_angle_alpha 110.52789
_cell_angle_beta 69.35908
_cell_angle_gamma 120.01077
_cell_volume 286.71815
_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
H1 H 0.09782 0.73211 0.12450 1.00000
H2 H 0.84868 0.97952 0.86912 1.00000
H3 H 0.35022 0.48093 0.86902 1.00000
H4 H 0.09779 0.23076 0.12461 1.00000
H5 H 0.47317 0.85498 0.49688 1.00000
H6 H 0.59618 0.23065 0.12460 1.00000
H7 H 0.84865 0.48087 0.86900 1.00000
Rb1 Rb 0.35375 0.97611 0.85546 1.00000
Rb2 Rb 0.59286 0.73561 0.13815 1.00000
Er1 Er 0.97328 0.35585 0.99683 1.00000
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