LiTh2Cu3
Alexandria ALEXAlex-ID: agm017232716 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1816_spg12
ThCu2 Li Th
2025-04-14 02:45:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017232716).
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
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# CIF generated by HEAS from Alexandria entry agm017232716
data_agm017232716
_cell_length_a 8.97196
_cell_length_b 8.48566
_cell_length_c 5.63401
_cell_angle_alpha 75.92544
_cell_angle_beta 66.54964
_cell_angle_gamma 37.52492
_cell_volume 237.66539
_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
Li1 Li 0.16702 0.16702 0.83298 1.00000
Li2 Li 0.83298 0.83298 0.16702 1.00000
Th1 Th 0.75000 0.75000 0.75000 1.00000
Th2 Th 0.74613 0.25387 0.25387 1.00000
Th3 Th 0.25000 0.25000 0.25000 1.00000
Th4 Th 0.25387 0.74613 0.74613 1.00000
Cu1 Cu 0.33198 0.83452 0.16548 1.00000
Cu2 Cu 0.16548 0.66802 0.33198 1.00000
Cu3 Cu 0.66802 0.16548 0.83452 1.00000
Cu4 Cu 0.83452 0.33198 0.66802 1.00000
Cu5 Cu 0.66720 0.66720 0.33280 1.00000
Cu6 Cu 0.33280 0.33280 0.66720 1.00000
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