NaCd3Cu
Alexandria ALEXAlex-ID: agm013208349 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_9906_spg2
Na2Cd11 NaCd2 Cu
2024-07-10 23:49:50.595056
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013208349).
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 agm013208349
data_agm013208349
_cell_length_a 5.64051
_cell_length_b 5.67599
_cell_length_c 7.52090
_cell_angle_alpha 76.49753
_cell_angle_beta 73.56118
_cell_angle_gamma 66.49617
_cell_volume 209.78099
_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
Na1 Na 0.53138 0.07922 0.79780 1.00000
Na2 Na 0.46862 0.92078 0.20220 1.00000
Cd1 Cd 0.90993 0.91175 0.36491 1.00000
Cd2 Cd 0.15100 0.67451 0.99901 1.00000
Cd3 Cd 0.41927 0.39339 0.36280 1.00000
Cd4 Cd 0.58073 0.60661 0.63720 1.00000
Cd5 Cd 0.09007 0.08825 0.63509 1.00000
Cd6 Cd 0.84900 0.32549 0.00099 1.00000
Cu1 Cu 0.06810 0.58615 0.67930 1.00000
Cu2 Cu 0.93190 0.41385 0.32070 1.00000
Get direct link