Na(InGa3)2
Alexandria ALEXAlex-ID: agm003483950 · Space group: P6/mmm (#191)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_302_spg191
Ga In NaGa4
2022-04-25 09:18:57.750896
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003483950).
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 agm003483950
data_agm003483950
_cell_length_a 3.84489
_cell_length_b 7.75882
_cell_length_c 7.75882
_cell_angle_alpha 59.99517
_cell_angle_beta 89.94213
_cell_angle_gamma 89.94219
_cell_volume 200.44027
_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
In1 In 0.49987 0.16665 0.16664 1.00000
In2 In 0.50013 0.83335 0.83336 1.00000
Ga1 Ga 0.99832 0.50000 0.16458 1.00000
Ga2 Ga 0.00168 0.50000 0.83542 1.00000
Ga3 Ga 0.00167 0.83542 0.50001 1.00000
Ga4 Ga 0.00000 0.16461 0.83539 1.00000
Ga5 Ga 1.00000 0.83539 0.16461 1.00000
Ga6 Ga 0.99833 0.16458 0.49999 1.00000
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