K(NdI2)4
Alexandria ALEXAlex-ID: agm006089255 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_113_spg166
NdI2 Nd KI
2023-08-30 10:51:21.261684
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006089255).
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 agm006089255
data_agm006089255
_cell_length_a 8.27250
_cell_length_b 8.27249
_cell_length_c 10.75618
_cell_angle_alpha 89.99948
_cell_angle_beta 112.61611
_cell_angle_gamma 120.00004
_cell_volume 571.17958
_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 0.00000 0.50000 0.50000 1.00000
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Nd2 Nd 0.00000 0.50000 0.00000 1.00000
Nd3 Nd 0.50000 0.50000 0.00000 1.00000
Nd4 Nd 0.50000 0.00000 0.00000 1.00000
I1 I 0.48126 0.74062 0.22188 1.00000
I2 I 0.51874 0.25938 0.77812 1.00000
I3 I 0.48130 0.24065 0.22475 1.00000
I4 I 0.01590 0.25655 0.77525 1.00000
I5 I 0.51870 0.75935 0.77525 1.00000
I6 I 0.01590 0.75935 0.77525 1.00000
I7 I 0.98410 0.24065 0.22475 1.00000
I8 I 0.98410 0.74345 0.22475 1.00000
Get direct link