NaZn5Ga2
Alexandria ALEXAlex-ID: agm003476201 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_53_spg71
Na7Ga13 NaZn11 NaGa4
2022-02-21 05:42:51.112189
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003476201).
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 agm003476201
data_agm003476201
_cell_length_a 3.93338
_cell_length_b 6.57978
_cell_length_c 6.57978
_cell_angle_alpha 66.88564
_cell_angle_beta 72.60849
_cell_angle_gamma 72.60849
_cell_volume 146.22650
_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
Zn1 Zn 0.00000 0.50000 0.50000 1.00000
Zn2 Zn 0.63028 0.55810 0.18133 1.00000
Zn3 Zn 0.36972 0.44190 0.81867 1.00000
Zn4 Zn 0.36972 0.81867 0.44190 1.00000
Zn5 Zn 0.63028 0.18133 0.55810 1.00000
Ga1 Ga 0.74341 0.75659 0.75659 1.00000
Ga2 Ga 0.25659 0.24341 0.24341 1.00000
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