Be5PRh6
Alexandria ALEXAlex-ID: agm006113093 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_55_spg71
Be5PRh6
2023-08-19 05:22:03.829600
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006113093).
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 agm006113093
data_agm006113093
_cell_length_a 3.97886
_cell_length_b 6.86505
_cell_length_c 6.86505
_cell_angle_alpha 119.85112
_cell_angle_beta 106.86389
_cell_angle_gamma 106.86389
_cell_volume 132.61642
_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
Be1 Be 0.50000 0.17437 0.82563 1.00000
Be2 Be 1.00000 0.33239 0.66761 1.00000
Be3 Be 0.50000 0.50000 0.50000 1.00000
Be4 Be 0.00000 0.66761 0.33239 1.00000
Be5 Be 0.50000 0.82563 0.17437 1.00000
Rh1 Rh 0.24904 0.08369 0.41414 1.00000
Rh2 Rh 0.75096 0.58586 0.91631 1.00000
Rh3 Rh 0.74849 0.24817 0.24817 1.00000
Rh4 Rh 0.25151 0.75183 0.75183 1.00000
Rh5 Rh 0.24904 0.41414 0.08369 1.00000
Rh6 Rh 0.75096 0.91631 0.58586 1.00000
P1 P 0.00000 0.00000 0.00000 1.00000
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