Th2CuAg3
Alexandria ALEXAlex-ID: agm005809871 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_452_spg2
ThCu2 ThAg2
2023-08-17 15:13:06.453839
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005809871).
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 agm005809871
data_agm005809871
_cell_length_a 5.86803
_cell_length_b 5.86803
_cell_length_c 8.96998
_cell_angle_alpha 102.52730
_cell_angle_beta 102.52730
_cell_angle_gamma 109.68638
_cell_volume 269.39535
_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 0.25000 0.75000 0.50000 1.00000
Th2 Th 0.74908 0.74908 0.00000 1.00000
Th3 Th 0.75000 0.25000 0.50000 1.00000
Th4 Th 0.25092 0.25092 1.00000 1.00000
Cu1 Cu 0.33370 0.33370 0.66740 1.00000
Cu2 Cu 0.66630 0.66630 0.33260 1.00000
Ag1 Ag 0.65972 0.17002 0.82974 1.00000
Ag2 Ag 0.82998 0.34028 0.17026 1.00000
Ag3 Ag 0.34028 0.82998 0.17026 1.00000
Ag4 Ag 0.17002 0.65972 0.82974 1.00000
Ag5 Ag 0.82997 0.82997 0.65993 1.00000
Ag6 Ag 0.17003 0.17003 0.34007 1.00000
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