Nb2Re3B2
Alexandria ALEXAlex-ID: agm009793540 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_103_spg12
Nb2ReB2 Re
2025-04-30 01:11:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009793540).
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 agm009793540
data_agm009793540
_cell_length_a 4.93076
_cell_length_b 4.93076
_cell_length_c 6.86283
_cell_angle_alpha 68.41132
_cell_angle_beta 111.58868
_cell_angle_gamma 143.03780
_cell_volume 92.46877
_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
Nb1 Nb 0.84626 0.15374 0.69855 1.00000
Nb2 Nb 0.15374 0.84626 0.30145 1.00000
Re1 Re 0.50000 0.50000 0.50000 1.00000
Re2 Re 0.62442 0.37558 0.94326 1.00000
Re3 Re 0.37558 0.62442 0.05674 1.00000
B1 B 0.84668 0.15332 0.27617 1.00000
B2 B 0.15332 0.84668 0.72383 1.00000
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