Na6Cd8Cu
Alexandria ALEXAlex-ID: agm072115960 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_73_spg148
Na6Cd7 NaCd2 Cu
2024-10-06 19:20:11.705205
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072115960).
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 agm072115960
data_agm072115960
_cell_length_a 7.62792
_cell_length_b 7.62792
_cell_length_c 7.62792
_cell_angle_alpha 70.44953
_cell_angle_beta 70.44953
_cell_angle_gamma 70.44953
_cell_volume 381.54033
_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 0.83091 0.56536 0.38037 1.00000
Na2 Na 0.56536 0.38037 0.83091 1.00000
Na3 Na 0.38037 0.83091 0.56536 1.00000
Na4 Na 0.16909 0.43464 0.61963 1.00000
Na5 Na 0.43464 0.61963 0.16909 1.00000
Na6 Na 0.61963 0.16909 0.43464 1.00000
Cd1 Cd 0.76026 0.76026 0.76026 1.00000
Cd2 Cd 0.23974 0.23974 0.23974 1.00000
Cd3 Cd 0.11113 0.64185 0.96401 1.00000
Cd4 Cd 0.64185 0.96401 0.11113 1.00000
Cd5 Cd 0.96401 0.11113 0.64185 1.00000
Cd6 Cd 0.88887 0.35815 0.03599 1.00000
Cd7 Cd 0.35815 0.03599 0.88887 1.00000
Cd8 Cd 0.03599 0.88887 0.35815 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
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