Nd4Ni2Cl3
Alexandria ALEXAlex-ID: agm005693891 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_352_spg164
Nd3NiCl3 NdNi
2023-06-26 21:16:43.224907
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693891).
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 agm005693891
data_agm005693891
_cell_length_a 4.01069
_cell_length_b 4.01069
_cell_length_c 18.06044
_cell_angle_alpha 90.10596
_cell_angle_beta 89.89404
_cell_angle_gamma 119.98963
_cell_volume 251.61795
_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
Nd1 Nd 0.33488 0.66512 0.87771 1.00000
Nd2 Nd 0.99796 0.00203 0.30017 1.00000
Nd3 Nd 0.00204 0.99797 0.69983 1.00000
Nd4 Nd 0.66512 0.33488 0.12229 1.00000
Ni1 Ni 0.66864 0.33136 0.79435 1.00000
Ni2 Ni 0.33136 0.66864 0.20565 1.00000
Cl1 Cl 0.66423 0.33577 0.39804 1.00000
Cl2 Cl 0.00000 0.00000 0.00000 1.00000
Cl3 Cl 0.33577 0.66423 0.60196 1.00000
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