Li4Nd3Tl4
Alexandria ALEXAlex-ID: agm005696792 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_73_spg71
Li8Tl3 LiNdTl NdTl
2023-06-29 20:44:24.441108
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005696792).
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 agm005696792
data_agm005696792
_cell_length_a 4.82276
_cell_length_b 7.45899
_cell_length_c 8.83421
_cell_angle_alpha 114.97135
_cell_angle_beta 105.84046
_cell_angle_gamma 90.00000
_cell_volume 274.71525
_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 0.32543 0.14016 0.65087 1.00000
Li2 Li 0.67457 0.48930 0.34913 1.00000
Li3 Li 0.67457 0.85984 0.34913 1.00000
Li4 Li 0.32543 0.51070 0.65087 1.00000
Nd1 Nd 0.12129 0.12129 0.24259 1.00000
Nd2 Nd 0.87871 0.87871 0.75741 1.00000
Nd3 Nd 0.00000 0.50000 0.00000 1.00000
Tl1 Tl 0.22042 0.72042 0.44084 1.00000
Tl2 Tl 0.77958 0.27958 0.55916 1.00000
Tl3 Tl 0.50000 0.79196 0.00000 1.00000
Tl4 Tl 0.50000 0.20804 1.00000 1.00000
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