Th2U2Ti5
Alexandria ALEXAlex-ID: agm009809804 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_119_spg12
U2Ti Th Ti
2024-06-28 02:26:06.211245
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009809804).
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 agm009809804
data_agm009809804
_cell_length_a 7.04764
_cell_length_b 7.04764
_cell_length_c 9.14261
_cell_angle_alpha 77.23342
_cell_angle_beta 77.23342
_cell_angle_gamma 25.70844
_cell_volume 191.86079
_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 0.33236 0.33236 0.21430 1.00000
Th2 Th 0.66764 0.66764 0.78570 1.00000
U1 U 0.00269 0.00269 0.35937 1.00000
U2 U 0.99731 0.99731 0.64063 1.00000
Ti1 Ti 0.35160 0.35160 0.88138 1.00000
Ti2 Ti 0.64840 0.64840 0.11862 1.00000
Ti3 Ti 0.67168 0.67168 0.43825 1.00000
Ti4 Ti 0.32832 0.32832 0.56175 1.00000
Ti5 Ti 0.00000 0.00000 0.00000 1.00000
Get direct link