Ni(AgI3)2
Alexandria ALEXAlex-ID: agm005692125 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1452_spg12
AgI I NiI2
2023-07-08 23:27:44.075521
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692125).
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 agm005692125
data_agm005692125
_cell_length_a 3.98432
_cell_length_b 7.14292
_cell_length_c 11.81746
_cell_angle_alpha 88.48781
_cell_angle_beta 80.29487
_cell_angle_gamma 73.80542
_cell_volume 318.27793
_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
Ni1 Ni 0.50000 0.50000 0.50000 1.00000
Ag1 Ag 0.84436 0.47560 0.83569 1.00000
Ag2 Ag 0.15564 0.52440 0.16431 1.00000
I1 I 0.42019 0.23010 0.92952 1.00000
I2 I 0.57981 0.76990 0.07048 1.00000
I3 I 0.70602 0.30821 0.27976 1.00000
I4 I 0.08786 0.26199 0.56230 1.00000
I5 I 0.29398 0.69179 0.72024 1.00000
I6 I 0.91214 0.73801 0.43770 1.00000
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