ThCdCu
Alexandria ALEXAlex-ID: agm003604264 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_2574_spg44
ThCd2 ThCu2
2022-03-06 17:35:56.100623
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003604264).
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 agm003604264
data_agm003604264
_cell_length_a 4.46869
_cell_length_b 6.39542
_cell_length_c 5.60628
_cell_angle_alpha 73.07765
_cell_angle_beta 66.51287
_cell_angle_gamma 69.55144
_cell_volume 135.52235
_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 0.56190 0.67648 0.19972 1.00000
Th2 Th 0.43810 0.32352 0.80028 1.00000
Cd1 Cd 0.17669 0.90965 0.73697 1.00000
Cd2 Cd 0.82331 0.09035 0.26303 1.00000
Cu1 Cu 0.14498 0.33039 0.37966 1.00000
Cu2 Cu 0.85502 0.66961 0.62034 1.00000
Get direct link