Th5Re2
Alexandria ALEXAlex-ID: agm009053473 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5_188_spg8
Th7Re3 Th
2024-03-07 14:50:48.890275
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009053473).
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 agm009053473
data_agm009053473
_cell_length_a 6.43425
_cell_length_b 6.43425
_cell_length_c 8.49146
_cell_angle_alpha 70.38708
_cell_angle_beta 70.38708
_cell_angle_gamma 36.51062
_cell_volume 195.65723
_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
Th1 Th 0.83761 0.83761 0.80932 1.00000
Th2 Th 0.16239 0.16239 0.19068 1.00000
Th3 Th 0.50000 0.50000 0.00000 1.00000
Th4 Th 0.62504 0.62504 0.56321 1.00000
Th5 Th 0.37496 0.37496 0.43679 1.00000
Re1 Re 0.83448 0.83448 0.20482 1.00000
Re2 Re 0.16552 0.16552 0.79518 1.00000
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