KNi2AgCl7
Alexandria ALEXAlex-ID: agm013239293 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D7_241_spg119
KAgCl3 NiCl2
2024-06-24 11:44:57.703393
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013239293).
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 agm013239293
data_agm013239293
_cell_length_a 11.65992
_cell_length_b 11.65992
_cell_length_c 11.65992
_cell_angle_alpha 156.45396
_cell_angle_beta 156.45396
_cell_angle_gamma 33.54223
_cell_volume 252.74342
_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
K1 K 0.75000 0.25000 0.50000 1.00000
Ni1 Ni 0.14409 0.64409 0.50000 1.00000
Ni2 Ni 0.35591 0.85591 0.50000 1.00000
Ag1 Ag 0.50000 0.50000 0.00000 1.00000
Cl1 Cl 0.35727 0.35727 0.00000 1.00000
Cl2 Cl 0.25000 0.75000 0.50000 1.00000
Cl3 Cl 0.64273 0.64273 0.00000 1.00000
Cl4 Cl 0.04352 0.54352 0.50000 1.00000
Cl5 Cl 0.85194 0.85194 0.00000 1.00000
Cl6 Cl 0.45648 0.95648 0.50000 1.00000
Cl7 Cl 0.14806 0.14806 0.00000 1.00000
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