Ti4NbRe
Alexandria ALEXAlex-ID: agm005773683 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_684_spg1
Ti4Re TiNb7 Ti3Re
2023-08-05 04:35:50.054348
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005773683).
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 agm005773683
data_agm005773683
_cell_length_a 4.50660
_cell_length_b 5.32109
_cell_length_c 5.36869
_cell_angle_alpha 63.71813
_cell_angle_beta 65.18360
_cell_angle_gamma 64.94635
_cell_volume 100.20785
_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
Ti1 Ti 0.65595 0.99618 0.69192 1.00000
Ti2 Ti 0.34405 0.00382 0.30808 1.00000
Ti3 Ti 0.68495 0.46078 0.16933 1.00000
Ti4 Ti 0.31505 0.53922 0.83067 1.00000
Nb1 Nb 0.00000 0.50000 0.50000 1.00000
Re1 Re 0.00000 0.00000 0.00000 1.00000
