Re5B3Mo
Alexandria ALEXAlex-ID: agm005969942 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_363_spg12
ReB Re3B BMo
2023-07-31 19:03:33.219342
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005969942).
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 agm005969942
data_agm005969942
_cell_length_a 5.54356
_cell_length_b 5.54356
_cell_length_c 8.69285
_cell_angle_alpha 99.86248
_cell_angle_beta 104.42734
_cell_angle_gamma 109.92042
_cell_volume 233.41067
_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
Re1 Re 0.55269 0.31270 0.41056 1.00000
Re2 Re 0.30645 0.30645 0.00000 1.00000
Re3 Re 0.24562 0.75081 0.99643 1.00000
Re4 Re 0.52321 0.77742 0.30063 1.00000
Re5 Re 0.47679 0.22258 0.69937 1.00000
Re6 Re 0.75438 0.24919 0.00357 1.00000
Re7 Re 0.09786 0.85788 0.41056 1.00000
Re8 Re 0.69355 0.69355 1.00000 1.00000
Re9 Re 0.44731 0.68730 0.58944 1.00000
Re10 Re 0.90214 0.14212 0.58944 1.00000
B1 B 0.28829 0.49508 0.78337 1.00000
B2 B 0.21463 0.98662 0.20125 1.00000
B3 B 0.00000 0.00000 0.00000 1.00000
B4 B 0.00000 0.50000 0.50000 1.00000
B5 B 0.71171 0.50492 0.21663 1.00000
B6 B 0.78537 0.01338 0.79875 1.00000
Mo1 Mo 0.97661 0.73202 0.70863 1.00000
Mo2 Mo 0.02339 0.26798 0.29137 1.00000
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