Na2Ga12Cu7
Alexandria ALEXAlex-ID: agm005673019 · Space group: P-3 (#147)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B7C12_5_spg147
Na(GaCu)6 Ga2Cu NaGa4
2023-06-21 08:16:54.471209
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005673019).
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 agm005673019
data_agm005673019
_cell_length_a 3.96923
_cell_length_b 10.15660
_cell_length_c 10.15660
_cell_angle_alpha 120.00001
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 354.59620
_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 0.25725 0.33333 0.66667 1.00000
Na2 Na 0.74275 0.66667 0.33333 1.00000
Ga1 Ga 0.25026 0.61244 0.05051 1.00000
Ga2 Ga 0.25026 0.43808 0.38756 1.00000
Ga3 Ga 0.25026 0.94949 0.56192 1.00000
Ga4 Ga 0.74974 0.38756 0.94949 1.00000
Ga5 Ga 0.74974 0.56192 0.61244 1.00000
Ga6 Ga 0.74974 0.05051 0.43808 1.00000
Ga7 Ga 0.25287 0.11606 0.26543 1.00000
Ga8 Ga 0.25287 0.14937 0.88394 1.00000
Ga9 Ga 0.25287 0.73457 0.85063 1.00000
Ga10 Ga 0.74713 0.88394 0.73457 1.00000
Ga11 Ga 0.74713 0.85063 0.11606 1.00000
Ga12 Ga 0.74713 0.26543 0.14937 1.00000
Cu1 Cu 0.50000 0.00000 0.00000 1.00000
Cu2 Cu 0.24210 0.87390 0.28579 1.00000
Cu3 Cu 0.24210 0.41189 0.12610 1.00000
Cu4 Cu 0.24210 0.71421 0.58811 1.00000
Cu5 Cu 0.75790 0.12610 0.71421 1.00000
Cu6 Cu 0.75790 0.58811 0.87390 1.00000
Cu7 Cu 0.75790 0.28579 0.41189 1.00000
