LiTm3Tl2
Alexandria ALEXAlex-ID: agm005750198 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_315_spg62
LiTmTl Tm5Tl3 Tm
2023-08-22 12:57:56.803727
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005750198).
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 agm005750198
data_agm005750198
_cell_length_a 4.90739
_cell_length_b 10.85574
_cell_length_c 11.59354
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 617.62678
_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 0.25000 0.10138 0.13875 1.00000
Li2 Li 0.75000 0.89862 0.86125 1.00000
Li3 Li 0.75000 0.60138 0.36125 1.00000
Li4 Li 0.25000 0.39862 0.63875 1.00000
Tm1 Tm 0.25000 0.36919 0.03065 1.00000
Tm2 Tm 0.75000 0.63081 0.96935 1.00000
Tm3 Tm 0.75000 0.86919 0.46935 1.00000
Tm4 Tm 0.25000 0.13081 0.53065 1.00000
Tm5 Tm 0.25000 0.66321 0.18945 1.00000
Tm6 Tm 0.75000 0.33679 0.81055 1.00000
Tm7 Tm 0.75000 0.16321 0.31055 1.00000
Tm8 Tm 0.25000 0.83679 0.68945 1.00000
Tm9 Tm 0.25000 0.39449 0.35291 1.00000
Tm10 Tm 0.75000 0.60551 0.64709 1.00000
Tm11 Tm 0.75000 0.89449 0.14709 1.00000
Tm12 Tm 0.25000 0.10551 0.85291 1.00000
Tl1 Tl 0.25000 0.66479 0.46935 1.00000
Tl2 Tl 0.75000 0.33521 0.53065 1.00000
Tl3 Tl 0.75000 0.16479 0.03065 1.00000
Tl4 Tl 0.25000 0.83521 0.96935 1.00000
Tl5 Tl 0.25000 0.94293 0.32242 1.00000
Tl6 Tl 0.75000 0.05707 0.67758 1.00000
Tl7 Tl 0.75000 0.44293 0.17758 1.00000
Tl8 Tl 0.25000 0.55707 0.82242 1.00000
