TbThCu4
Alexandria ALEXAlex-ID: agm013407258 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_510_spg12
TbCu2 ThCu2
2024-12-10 17:21:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013407258).
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 agm013407258
data_agm013407258
_cell_length_a 5.54759
_cell_length_b 5.54759
_cell_length_c 5.54759
_cell_angle_alpha 134.18120
_cell_angle_beta 102.61354
_cell_angle_gamma 94.85856
_cell_volume 112.42972
_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
Tb1 Tb 0.53000 0.53000 0.00000 1.00000
Th1 Th 0.96604 0.46604 0.50000 1.00000
Cu1 Cu 0.37620 0.16598 0.21022 1.00000
Cu2 Cu 0.12593 0.83497 0.29096 1.00000
Cu3 Cu 0.54402 0.83497 0.70904 1.00000
Cu4 Cu 0.95576 0.16598 0.78978 1.00000
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