Na2Zn2Ga3
Alexandria ALEXAlex-ID: agm009043549 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_1653_spg12
Na7Ga13 NaZn11 NaZn2
2024-03-17 15:24:45.690495
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009043549).
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 agm009043549
data_agm009043549
_cell_length_a 5.95123
_cell_length_b 5.95123
_cell_length_c 7.01302
_cell_angle_alpha 61.29856
_cell_angle_beta 61.29856
_cell_angle_gamma 42.39346
_cell_volume 143.53801
_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 0.34425 0.34425 0.28572 1.00000
Na2 Na 0.65575 0.65575 0.71428 1.00000
Zn1 Zn 0.91004 0.91004 0.93451 1.00000
Zn2 Zn 0.08996 0.08996 0.06549 1.00000
Ga1 Ga 0.64128 0.64128 0.25050 1.00000
Ga2 Ga 0.00000 0.00000 0.50000 1.00000
Ga3 Ga 0.35872 0.35872 0.74950 1.00000
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