Na(YI3)2
Alexandria ALEXAlex-ID: agm097742482 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_94_spg6
YI2 YI3 NaI
2025-04-07 02:33:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097742482).
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 agm097742482
data_agm097742482
_cell_length_a 6.09491
_cell_length_b 6.12427
_cell_length_c 11.10687
_cell_angle_alpha 90.00000
_cell_angle_beta 106.03521
_cell_angle_gamma 90.00000
_cell_volume 398.45370
_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 0.71402 0.50000 0.61820 1.00000
Y1 Y 0.90304 0.00000 0.00416 1.00000
Y2 Y 0.04060 0.50000 0.27329 1.00000
I1 I 0.40554 0.00000 0.00876 1.00000
I2 I 0.18316 0.50000 0.55734 1.00000
I3 I 0.89196 0.50000 0.98328 1.00000
I4 I 0.05099 0.00000 0.29529 1.00000
I5 I 0.76258 0.00000 0.72108 1.00000
I6 I 0.54812 0.50000 0.28859 1.00000
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