Na8GaCu2
Alexandria ALEXAlex-ID: agm012283587 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_2818_spg71
Na7Ga13 Na Cu
2024-05-30 05:04:48.206200
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012283587).
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 agm012283587
data_agm012283587
_cell_length_a 7.52690
_cell_length_b 7.52690
_cell_length_c 11.03683
_cell_angle_alpha 73.55163
_cell_angle_beta 73.55163
_cell_angle_gamma 33.09629
_cell_volume 326.19930
_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 0.63497 0.63497 0.45897 1.00000
Na2 Na 0.32026 0.32026 0.89956 1.00000
Na3 Na 0.99789 0.99789 0.25943 1.00000
Na4 Na 0.68855 0.68855 0.76513 1.00000
Na5 Na 0.31145 0.31145 0.23487 1.00000
Na6 Na 0.00211 0.00211 0.74057 1.00000
Na7 Na 0.67974 0.67974 0.10044 1.00000
Na8 Na 0.36503 0.36503 0.54103 1.00000
Ga1 Ga 0.50000 0.50000 0.00000 1.00000
Cu1 Cu 0.08869 0.08869 0.96618 1.00000
Cu2 Cu 0.91131 0.91131 0.03382 1.00000
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