Li(Nd3Co)2
Alexandria ALEXAlex-ID: agm005703575 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_730_spg71
Nd3Co Li
2023-07-08 13:45:12.649971
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005703575).
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 agm005703575
data_agm005703575
_cell_length_a 8.62841
_cell_length_b 8.62841
_cell_length_c 8.62841
_cell_angle_alpha 107.45388
_cell_angle_beta 111.92240
_cell_angle_gamma 109.06928
_cell_volume 493.72937
_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 0.50000 0.50000 1.00000
Li2 Li 0.00000 0.00000 0.00000 1.00000
Nd1 Nd 0.53509 0.81944 0.71566 1.00000
Nd2 Nd 0.46491 0.18056 0.28434 1.00000
Nd3 Nd 0.10378 0.81944 0.28434 1.00000
Nd4 Nd 0.89622 0.18056 0.71566 1.00000
Nd5 Nd 0.80012 0.02929 0.22917 1.00000
Nd6 Nd 0.19988 0.97071 0.77083 1.00000
Nd7 Nd 0.19988 0.42905 0.22917 1.00000
Nd8 Nd 0.80012 0.57095 0.77083 1.00000
Nd9 Nd 0.68379 0.32020 0.00399 1.00000
Nd10 Nd 0.31621 0.67980 0.99601 1.00000
Nd11 Nd 0.31621 0.32020 0.63642 1.00000
Nd12 Nd 0.68379 0.67980 0.36358 1.00000
Co1 Co 0.50000 0.11275 0.61275 1.00000
Co2 Co 0.50000 0.88725 0.38725 1.00000
Co3 Co 0.66791 0.66791 1.00000 1.00000
Co4 Co 0.33209 0.33209 0.00000 1.00000
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