Th2Ga4Cu3
Alexandria ALEXAlex-ID: agm003335002 · Space group: Cmce (#64)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_75_spg64
Th(GaCu)2 ThGa2Cu
2022-01-27 02:49:08.436163
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003335002).
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 agm003335002
data_agm003335002
_cell_length_a 5.79664
_cell_length_b 7.68454
_cell_length_c 8.06724
_cell_angle_alpha 90.00000
_cell_angle_beta 111.05540
_cell_angle_gamma 90.00000
_cell_volume 335.35864
_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 0.11283 0.59470 0.22565 1.00000
Th2 Th 0.88717 0.40530 0.77435 1.00000
Th3 Th 0.38717 0.09470 0.77435 1.00000
Th4 Th 0.61283 0.90530 0.22565 1.00000
Ga1 Ga 0.69197 0.75000 0.88395 1.00000
Ga2 Ga 0.80803 0.25000 0.11605 1.00000
Ga3 Ga 0.30803 0.25000 0.11605 1.00000
Ga4 Ga 0.19197 0.75000 0.88395 1.00000
Ga5 Ga 0.17755 0.98959 0.35511 1.00000
Ga6 Ga 0.82245 0.01041 0.64489 1.00000
Ga7 Ga 0.32245 0.48959 0.64489 1.00000
Ga8 Ga 0.67755 0.51041 0.35511 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
Cu2 Cu 0.50000 0.50000 0.00000 1.00000
Cu3 Cu 0.52397 0.75000 0.54794 1.00000
Cu4 Cu 0.97603 0.25000 0.45206 1.00000
Cu5 Cu 0.47603 0.25000 0.45206 1.00000
Cu6 Cu 0.02397 0.75000 0.54794 1.00000
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