ErBe(H4Rh)2
Alexandria ALEXAlex-ID: agm007186071 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_37_spg148
ErH6Rh H2 BeRh
2025-05-27 07:00:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007186071).
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 agm007186071
data_agm007186071
_cell_length_a 4.37129
_cell_length_b 4.29084
_cell_length_c 6.17244
_cell_angle_alpha 68.54736
_cell_angle_beta 67.69670
_cell_angle_gamma 58.82866
_cell_volume 89.52731
_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
Er1 Er 0.50000 0.50000 0.50000 1.00000
Be1 Be 0.00000 0.00000 0.00000 1.00000
H1 H 0.51905 0.90668 0.63299 1.00000
H2 H 0.34061 0.15154 0.88781 1.00000
H3 H 0.48095 0.09332 0.36701 1.00000
H4 H 0.97739 0.93311 0.69331 1.00000
H5 H 0.02261 0.06689 0.30669 1.00000
H6 H 0.94001 0.36346 0.71437 1.00000
H7 H 0.05999 0.63654 0.28563 1.00000
H8 H 0.65939 0.84846 0.11219 1.00000
Rh1 Rh 0.72148 0.70186 0.86174 1.00000
Rh2 Rh 0.27852 0.29814 0.13826 1.00000
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