Na6In2Ga
Alexandria ALEXAlex-ID: agm005674924 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_102_spg166
Na7Ga13 Na2In Na
2023-07-08 19:21:34.184702
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005674924).
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 agm005674924
data_agm005674924
_cell_length_a 5.53696
_cell_length_b 5.53696
_cell_length_c 10.57280
_cell_angle_alpha 74.82017
_cell_angle_beta 74.82017
_cell_angle_gamma 60.00003
_cell_volume 267.57457
_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 0.57831 0.57831 0.26508 1.00000
Na2 Na 0.80710 0.80710 0.57870 1.00000
Na3 Na 0.69571 0.69571 0.91287 1.00000
Na4 Na 0.19290 0.19290 0.42130 1.00000
Na5 Na 0.42169 0.42169 0.73492 1.00000
Na6 Na 0.30429 0.30429 0.08713 1.00000
In1 In 0.91266 0.91266 0.26203 1.00000
In2 In 0.08734 0.08734 0.73797 1.00000
Ga1 Ga 0.00000 0.00000 0.00000 1.00000
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