Th4GaCu
Alexandria ALEXAlex-ID: agm015019052 · Space group: I422 (#97)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_2333_spg119
Th2Ga Th ThCu2
2025-04-13 21:52:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm015019052).
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 agm015019052
data_agm015019052
_cell_length_a 6.03120
_cell_length_b 6.03120
_cell_length_c 6.03120
_cell_angle_alpha 102.38940
_cell_angle_beta 102.38940
_cell_angle_gamma 124.81237
_cell_volume 159.63394
_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 0.09035 0.59035 0.18070 1.00000
Th2 Th 0.40965 0.90965 0.81930 1.00000
Th3 Th 0.59035 0.40965 0.50000 1.00000
Th4 Th 0.90965 0.09035 0.50000 1.00000
Ga1 Ga 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.50000 0.50000 0.00000 1.00000
Get direct link