Na5ZnGa4
Alexandria ALEXAlex-ID: agm006126337 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_488_spg12
Na7Ga13 Na NaZn2
2023-10-17 15:26:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006126337).
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
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# CIF generated by HEAS from Alexandria entry agm006126337
data_agm006126337
_cell_length_a 4.23121
_cell_length_b 7.82353
_cell_length_c 9.90956
_cell_angle_alpha 121.50124
_cell_angle_beta 102.32701
_cell_angle_gamma 89.99999
_cell_volume 270.78319
_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 0.16180 0.31279 0.32360 1.00000
Na2 Na 0.18463 0.78704 0.36925 1.00000
Na3 Na 0.81537 0.21296 0.63075 1.00000
Na4 Na 0.50000 0.50000 0.00000 1.00000
Na5 Na 0.83820 0.68721 0.67640 1.00000
Zn1 Zn 0.50000 0.00000 0.00000 1.00000
Ga1 Ga 0.62829 0.97611 0.25658 1.00000
Ga2 Ga 0.96994 0.15376 0.93989 1.00000
Ga3 Ga 0.37171 0.02389 0.74342 1.00000
Ga4 Ga 0.03006 0.84624 0.06011 1.00000
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