Na3Zn8Ga3
Alexandria ALEXAlex-ID: agm003376429 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_19_spg12
Na7Ga13 NaZn11 NaZn2
2022-02-09 00:22:38.421548
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003376429).
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 agm003376429
data_agm003376429
_cell_length_a 4.38908
_cell_length_b 8.29377
_cell_length_c 8.29377
_cell_angle_alpha 67.18163
_cell_angle_beta 74.65675
_cell_angle_gamma 74.65675
_cell_volume 263.86993
_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 0.50000 0.50000 0.50000 1.00000
Na2 Na 0.80263 0.19737 0.19737 1.00000
Na3 Na 0.19737 0.80263 0.80263 1.00000
Zn1 Zn 0.63424 0.08466 0.64687 1.00000
Zn2 Zn 0.36576 0.91534 0.35313 1.00000
Zn3 Zn 0.63424 0.64687 0.08466 1.00000
Zn4 Zn 0.36576 0.35313 0.91534 1.00000
Zn5 Zn 0.82751 0.81311 0.53187 1.00000
Zn6 Zn 0.17249 0.18689 0.46813 1.00000
Zn7 Zn 0.82751 0.53187 0.81311 1.00000
Zn8 Zn 0.17249 0.46813 0.18689 1.00000
Ga1 Ga 0.50000 0.00000 0.00000 1.00000
Ga2 Ga 0.00000 0.78433 0.21567 1.00000
Ga3 Ga 0.00000 0.21567 0.78433 1.00000
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