Na2AlIn
Alexandria ALEXAlex-ID: agm005769887 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_4711_spg8
Na2In Al
2023-07-14 16:21:44.295241
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005769887).
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 agm005769887
data_agm005769887
_cell_length_a 4.73482
_cell_length_b 6.20533
_cell_length_c 8.57071
_cell_angle_alpha 75.36791
_cell_angle_beta 73.96519
_cell_angle_gamma 67.57258
_cell_volume 220.62083
_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 0.20114 0.24698 0.35074 1.00000
Na2 Na 0.81791 0.83851 0.52567 1.00000
Na3 Na 0.43778 0.42841 0.69603 1.00000
Na4 Na 0.81712 0.34293 0.02283 1.00000
Al1 Al 0.06940 0.75882 0.10237 1.00000
Al2 Al 0.56265 0.92442 0.95028 1.00000
In1 In 0.11971 0.00738 0.75319 1.00000
In2 In 0.51643 0.66909 0.29806 1.00000
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