YThCu4
Alexandria ALEXAlex-ID: agm005759869 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_479_spg119
YCu2 ThCu2
2023-07-28 03:38:51.855394
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005759869).
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 agm005759869
data_agm005759869
_cell_length_a 3.88931
_cell_length_b 3.88931
_cell_length_c 8.22026
_cell_angle_alpha 103.68409
_cell_angle_beta 103.68409
_cell_angle_gamma 90.00000
_cell_volume 117.18027
_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
Y1 Y 0.25000 0.75000 0.50000 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.67163 0.17163 0.34326 1.00000
Cu2 Cu 0.58068 0.58068 0.16136 1.00000
Cu3 Cu 0.82837 0.32837 0.65674 1.00000
Cu4 Cu 0.41932 0.41932 0.83864 1.00000
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