NaIn2GaI4
Alexandria ALEXAlex-ID: agm004836632 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_343_spg10
InGaI3 InI NaI Ga
2023-01-26 13:48:04.576767
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004836632).
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 agm004836632
data_agm004836632
_cell_length_a 4.78673
_cell_length_b 8.40427
_cell_length_c 8.30233
_cell_angle_alpha 70.83506
_cell_angle_beta 89.99999
_cell_angle_gamma 89.99999
_cell_volume 315.48353
_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 0.00000 0.49999 0.50000 1.00000
In1 In 0.00000 0.00000 1.00000 1.00000
In2 In 0.50000 0.00000 0.50000 1.00000
Ga1 Ga 0.50000 0.50000 1.00000 1.00000
I1 I 0.00000 0.73119 0.75274 1.00000
I2 I 1.00000 0.26882 0.24726 1.00000
I3 I 0.50000 0.72911 0.26010 1.00000
I4 I 0.50000 0.27089 0.73990 1.00000
Get direct link