ScNbRe
Alexandria ALEXAlex-ID: agm005697451 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_63_spg74
Nb2Re Sc ScRe2
2023-06-18 09:33:21.303497
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697451).
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 agm005697451
data_agm005697451
_cell_length_a 5.34180
_cell_length_b 5.41676
_cell_length_c 5.41676
_cell_angle_alpha 61.76899
_cell_angle_beta 60.45672
_cell_angle_gamma 60.45672
_cell_volume 113.02342
_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
Sc1 Sc 0.87872 0.37128 0.37128 1.00000
Sc2 Sc 0.12128 0.62872 0.62872 1.00000
Nb1 Nb 0.50000 0.50000 0.00000 1.00000
Nb2 Nb 0.50000 0.00000 0.50000 1.00000
Re1 Re 0.00000 0.00000 0.00000 1.00000
Re2 Re 0.50000 0.00000 0.00000 1.00000
