K(NdI2)4
Alexandria ALEXAlex-ID: agm097768237 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1571_spg1
NdI2 Nd KI
2025-06-16 09:28:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097768237).
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 agm097768237
data_agm097768237
_cell_length_a 4.09843
_cell_length_b 13.47664
_cell_length_c 12.16582
_cell_angle_alpha 63.53099
_cell_angle_beta 89.99849
_cell_angle_gamma 89.95588
_cell_volume 601.51747
_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 0.88578 0.15228 0.77383 1.00000
Nd1 Nd 0.88464 0.83293 0.17369 1.00000
Nd2 Nd 0.38471 0.65897 0.01718 1.00000
Nd3 Nd 0.88484 0.60128 0.54494 1.00000
Nd4 Nd 0.88410 0.83554 0.68294 1.00000
I1 I 0.38420 0.03958 0.06154 1.00000
I2 I 0.38507 0.62882 0.31256 1.00000
I3 I 0.38472 0.63123 0.74883 1.00000
I4 I 0.38361 0.04147 0.59265 1.00000
I5 I 0.88364 0.86543 0.41289 1.00000
I6 I 0.88519 0.46240 0.11239 1.00000
I7 I 0.38536 0.38813 0.65172 1.00000
I8 I 0.88414 0.86193 0.91483 1.00000
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