Li4Nd3Tl4
Alexandria ALEXAlex-ID: agm003380974 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_25_spg71
Li8Tl3 LiNdTl NdTl
2022-02-09 04:16:19.348574
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003380974).
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 agm003380974
data_agm003380974
_cell_length_a 3.56293
_cell_length_b 4.99281
_cell_length_c 15.86772
_cell_angle_alpha 80.89283
_cell_angle_beta 83.54969
_cell_angle_gamma 89.99493
_cell_volume 276.90345
_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 0.59414 0.09405 0.81346 1.00000
Li2 Li 0.25856 0.25897 0.48135 1.00000
Li3 Li 0.74149 0.74110 0.51861 1.00000
Li4 Li 0.40587 0.90595 0.18656 1.00000
Nd1 Nd 0.14387 0.64439 0.71281 1.00000
Nd2 Nd 0.85615 0.35564 0.28719 1.00000
Nd3 Nd 0.00001 0.99999 0.00002 1.00000
Tl1 Tl 0.55134 0.55169 0.89771 1.00000
Tl2 Tl 0.44867 0.44830 0.10233 1.00000
Tl3 Tl 0.31452 0.81349 0.37122 1.00000
Tl4 Tl 0.68552 0.18656 0.62875 1.00000
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