Th5(U2Ti)2
Alexandria ALEXAlex-ID: agm012174131 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_1667_spg2
U2Ti Th
2024-06-02 00:09:21.893597
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012174131).
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 agm012174131
data_agm012174131
_cell_length_a 5.85222
_cell_length_b 7.19055
_cell_length_c 7.77346
_cell_angle_alpha 66.08570
_cell_angle_beta 71.38469
_cell_angle_gamma 78.56413
_cell_volume 282.48939
_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 0.54357 0.10540 0.74844 1.00000
Th2 Th 0.45643 0.89460 0.25156 1.00000
Th3 Th 0.00000 0.50000 0.50000 1.00000
Th4 Th 0.42506 0.59498 0.73786 1.00000
Th5 Th 0.57494 0.40502 0.26214 1.00000
U1 U 0.84256 0.70365 0.88269 1.00000
U2 U 0.15744 0.29635 0.11731 1.00000
U3 U 0.07240 0.80641 0.04948 1.00000
U4 U 0.92760 0.19359 0.95052 1.00000
Ti1 Ti 0.85826 0.95132 0.40727 1.00000
Ti2 Ti 0.14174 0.04868 0.59273 1.00000
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