Be6Ni5Rh
Alexandria ALEXAlex-ID: agm065578136 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_295_spg44
Be6Ni5Rh
2025-02-26 17:24:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm065578136).
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 agm065578136
data_agm065578136
_cell_length_a 6.46779
_cell_length_b 6.46779
_cell_length_c 6.46779
_cell_angle_alpha 146.50631
_cell_angle_beta 131.51113
_cell_angle_gamma 60.21729
_cell_volume 110.77522
_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 0.42109 0.66860 0.75248 1.00000
Be2 Be 0.91612 0.66860 0.24752 1.00000
Be3 Be 0.25704 0.00000 0.25704 1.00000
Be4 Be 0.74296 0.00000 0.74296 1.00000
Be5 Be 0.08388 0.33140 0.75248 1.00000
Be6 Be 0.57891 0.33140 0.24752 1.00000
Ni1 Ni 0.82925 0.82925 0.00000 1.00000
Ni2 Ni 0.66691 0.16691 0.50000 1.00000
Ni3 Ni 0.50000 0.50000 0.00000 1.00000
Ni4 Ni 0.33309 0.83309 0.50000 1.00000
Ni5 Ni 0.17075 0.17075 0.00000 1.00000
Rh1 Rh 0.00000 0.50000 0.50000 1.00000
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