LiTb3(NdSe3)2
Alexandria ALEXAlex-ID: agm034370289 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_166_spg12
LiTb3Se4 TbNd4Se5 LiNd3Se4
2025-03-05 05:58:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034370289).
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 agm034370289
data_agm034370289
_cell_length_a 9.24941
_cell_length_b 9.24941
_cell_length_c 8.27780
_cell_angle_alpha 76.86163
_cell_angle_beta 103.13837
_cell_angle_gamma 154.22963
_cell_volume 299.40459
_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 0.50000 0.50000 0.50000 1.00000
Tb1 Tb 0.50000 0.50000 0.00000 1.00000
Tb2 Tb 0.16741 0.83259 0.33020 1.00000
Tb3 Tb 0.83259 0.16741 0.66980 1.00000
Nd1 Nd 0.16856 0.83144 0.83950 1.00000
Nd2 Nd 0.83144 0.16856 0.16050 1.00000
Se1 Se 0.66376 0.33624 0.57365 1.00000
Se2 Se 0.33748 0.66252 0.90931 1.00000
Se3 Se 0.33624 0.66376 0.42635 1.00000
Se4 Se 0.00213 0.99787 0.25555 1.00000
Se5 Se 0.99787 0.00213 0.74445 1.00000
Se6 Se 0.66252 0.33748 0.09069 1.00000
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