NaAlIn2
Alexandria ALEXAlex-ID: agm002108260 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_30_spg63
NaIn2 Al
2021-11-11 10:58:14.326027
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002108260).
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 agm002108260
data_agm002108260
_cell_length_a 4.98818
_cell_length_b 7.24878
_cell_length_c 6.10565
_cell_angle_alpha 90.00000
_cell_angle_beta 113.03320
_cell_angle_gamma 90.00000
_cell_volume 203.16945
_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 0.62129 0.50000 0.90012 1.00000
Na2 Na 0.79115 0.00000 0.23394 1.00000
Al1 Al 0.07560 0.18922 0.80473 1.00000
Al2 Al 0.07560 0.81078 0.80473 1.00000
In1 In 0.31675 0.29314 0.28921 1.00000
In2 In 0.31675 0.70686 0.28921 1.00000
In3 In 0.91712 0.50000 0.49455 1.00000
In4 In 0.50880 0.00000 0.66791 1.00000
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