Na(Cd3Cu)3
Alexandria ALEXAlex-ID: agm006015207 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C9_320_spg12
Na2Cd11 Cd Cu
2023-08-10 04:25:18.834915
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006015207).
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 agm006015207
data_agm006015207
_cell_length_a 5.44621
_cell_length_b 7.43229
_cell_length_c 7.49518
_cell_angle_alpha 82.44547
_cell_angle_beta 68.69615
_cell_angle_gamma 68.78538
_cell_volume 263.50160
_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 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.70165 0.78974 0.78002 1.00000
Cd2 Cd 0.29835 0.21026 0.21998 1.00000
Cd3 Cd 0.51832 0.21026 0.78002 1.00000
Cd4 Cd 0.48168 0.78974 0.21998 1.00000
Cd5 Cd 0.65843 0.33195 0.35155 1.00000
Cd6 Cd 0.34157 0.66805 0.64845 1.00000
Cd7 Cd 0.99003 0.66805 0.35155 1.00000
Cd8 Cd 0.00997 0.33195 0.64845 1.00000
Cd9 Cd 0.00000 0.50000 0.00000 1.00000
Cu1 Cu 0.50000 0.50000 0.00000 1.00000
Cu2 Cu 0.00000 0.00000 0.50000 1.00000
Cu3 Cu 0.50000 0.00000 0.50000 1.00000
Get direct link