Li(Nd4Ni)2
Alexandria ALEXAlex-ID: agm006019462 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_295_spg12
Nd3Ni Li Nd
2023-09-26 23:22:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006019462).
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 agm006019462
data_agm006019462
_cell_length_a 5.79485
_cell_length_b 8.08678
_cell_length_c 8.08678
_cell_angle_alpha 116.37291
_cell_angle_beta 97.17491
_cell_angle_gamma 97.17490
_cell_volume 329.85138
_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 0.00053 0.00295 0.00295 1.00000
Nd1 Nd 0.57928 0.34136 0.08581 1.00000
Nd2 Nd 0.57928 0.08581 0.34136 1.00000
Nd3 Nd 0.19934 0.39897 0.39897 1.00000
Nd4 Nd 0.99998 0.25235 0.75506 1.00000
Nd5 Nd 0.99998 0.75506 0.25235 1.00000
Nd6 Nd 0.80055 0.60692 0.60692 1.00000
Nd7 Nd 0.42139 0.92047 0.66498 1.00000
Nd8 Nd 0.42139 0.66498 0.92047 1.00000
Ni1 Ni 0.49897 0.70608 0.29898 1.00000
Ni2 Ni 0.49897 0.29898 0.70608 1.00000
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