Li(Nd3Ni4)2
Alexandria ALEXAlex-ID: agm072116544 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_138_spg148
Nd3Ni4 Li
2024-10-06 18:26:40.821118
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072116544).
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 agm072116544
data_agm072116544
_cell_length_a 5.36249
_cell_length_b 7.57238
_cell_length_c 7.87494
_cell_angle_alpha 90.25994
_cell_angle_beta 101.05559
_cell_angle_gamma 91.42711
_cell_volume 313.73043
_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 0.00000 0.00000 0.00000 1.00000
Nd1 Nd 0.59521 0.90024 0.23830 1.00000
Nd2 Nd 0.16601 0.72286 0.51765 1.00000
Nd3 Nd 0.26751 0.39223 0.14650 1.00000
Nd4 Nd 0.40479 0.09976 0.76170 1.00000
Nd5 Nd 0.83399 0.27714 0.48235 1.00000
Nd6 Nd 0.73249 0.60777 0.85350 1.00000
Ni1 Ni 0.08101 0.75006 0.16645 1.00000
Ni2 Ni 0.91899 0.24994 0.83355 1.00000
Ni3 Ni 0.14108 0.05304 0.33267 1.00000
Ni4 Ni 0.79135 0.53586 0.23043 1.00000
Ni5 Ni 0.25136 0.75204 0.90521 1.00000
Ni6 Ni 0.85892 0.94696 0.66733 1.00000
Ni7 Ni 0.20865 0.46414 0.76957 1.00000
Ni8 Ni 0.74864 0.24796 0.09479 1.00000
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