ThU3Re8
Alexandria ALEXAlex-ID: agm005273833 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_30_spg156
U2Re Re ThRe2
2023-05-06 01:56:10.542556
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005273833).
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 agm005273833
data_agm005273833
_cell_length_a 5.34328
_cell_length_b 5.34328
_cell_length_c 8.51214
_cell_angle_alpha 88.30720
_cell_angle_beta 88.30720
_cell_angle_gamma 66.69322
_cell_volume 223.05658
_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 0.66150 0.66150 0.56915 1.00000
U1 U 0.33220 0.33220 0.40943 1.00000
U2 U 0.65932 0.65932 0.93489 1.00000
U3 U 0.34262 0.34262 0.08203 1.00000
Re1 Re 0.00136 0.00136 0.50036 1.00000
Re2 Re 0.00158 0.00158 0.00021 1.00000
Re3 Re 0.17529 0.17529 0.74957 1.00000
Re4 Re 0.82901 0.82901 0.24814 1.00000
Re5 Re 0.65904 0.16324 0.75749 1.00000
Re6 Re 0.83473 0.34009 0.24562 1.00000
Re7 Re 0.34009 0.83473 0.24562 1.00000
Re8 Re 0.16324 0.65904 0.75749 1.00000
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