BeTcRh
Alexandria ALEXAlex-ID: agm003047762 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_284_spg63
BeTc2 Tc3Rh BeRh
2015-04-18 08:45:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003047762).
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 agm003047762
data_agm003047762
_cell_length_a 2.81861
_cell_length_b 6.48206
_cell_length_c 4.13512
_cell_angle_alpha 90.00019
_cell_angle_beta 89.99852
_cell_angle_gamma 102.54756
_cell_volume 73.74579
_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 0.16424 0.64126 0.88974 1.00000
Be2 Be 0.03638 0.38391 0.38981 1.00000
Rh1 Rh 0.68623 0.68375 0.38920 1.00000
Rh2 Rh 0.51472 0.34126 0.88922 1.00000
Tc1 Tc 0.82839 0.96831 0.88902 1.00000
Tc2 Tc 0.37266 0.05671 0.38902 1.00000
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