Li4Nd2Cl9
Alexandria ALEXAlex-ID: agm005644778 · Space group: P-3c1 (#165)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C9_141_spg2
Nd2Cl5 LiCl
2023-06-16 22:27:26.845567
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644778).
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 agm005644778
data_agm005644778
_cell_length_a 6.75129
_cell_length_b 6.75001
_cell_length_c 18.09015
_cell_angle_alpha 90.00036
_cell_angle_beta 89.99844
_cell_angle_gamma 59.98750
_cell_volume 713.85347
_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
Li1 Li 0.33342 0.33333 0.98655 1.00000
Li2 Li 0.33319 0.33341 0.48654 1.00000
Li3 Li 0.66658 0.66667 0.01345 1.00000
Li4 Li 0.33286 0.33360 0.16908 1.00000
Li5 Li 0.66681 0.66659 0.51346 1.00000
Li6 Li 0.66611 0.66674 0.33098 1.00000
Li7 Li 0.33389 0.33326 0.66902 1.00000
Li8 Li 0.66714 0.66640 0.83092 1.00000
Nd1 Nd 0.99961 0.00012 0.34661 1.00000
Nd2 Nd 0.99967 0.00015 0.15339 1.00000
Nd3 Nd 0.00039 0.99988 0.65339 1.00000
Nd4 Nd 0.00033 0.99985 0.84661 1.00000
Cl1 Cl 0.00025 0.33524 0.75001 1.00000
Cl2 Cl 0.33569 0.66444 0.74998 1.00000
Cl3 Cl 0.66512 0.99987 0.74998 1.00000
Cl4 Cl 0.99975 0.66476 0.24999 1.00000
Cl5 Cl 0.66431 0.33556 0.25002 1.00000
Cl6 Cl 0.33488 0.00013 0.25002 1.00000
Cl7 Cl 0.64798 0.97862 0.41769 1.00000
Cl8 Cl 0.97818 0.37324 0.41772 1.00000
Cl9 Cl 0.37268 0.64858 0.41776 1.00000
Cl10 Cl 0.62656 0.02159 0.08233 1.00000
Cl11 Cl 0.35135 0.62704 0.08228 1.00000
Cl12 Cl 0.02126 0.35167 0.08228 1.00000
Cl13 Cl 0.35202 0.02138 0.58231 1.00000
Cl14 Cl 0.02182 0.62676 0.58228 1.00000
Cl15 Cl 0.62732 0.35142 0.58224 1.00000
Cl16 Cl 0.37344 0.97841 0.91767 1.00000
Cl17 Cl 0.64865 0.37296 0.91772 1.00000
Cl18 Cl 0.97874 0.64833 0.91772 1.00000
