ThAlIn
Alexandria ALEXAlex-ID: agm005604557 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_46_spg71
Th3In5 ThIn3 ThAl2
2023-06-16 20:38:33.823263
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005604557).
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 agm005604557
data_agm005604557
_cell_length_a 4.60482
_cell_length_b 6.21112
_cell_length_c 6.21112
_cell_angle_alpha 79.37569
_cell_angle_beta 68.24168
_cell_angle_gamma 68.24168
_cell_volume 153.00686
_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 0.50000 0.50000 0.00000 1.00000
Th2 Th 0.00000 0.00000 0.50000 1.00000
Al1 Al 0.25000 0.42950 0.57050 1.00000
Al2 Al 0.75000 0.57050 0.42950 1.00000
In1 In 0.75000 0.90430 0.09570 1.00000
In2 In 0.25000 0.09570 0.90430 1.00000
