Li3Ac3Tl2
Alexandria ALEXAlex-ID: agm005576296 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_199_spg62
Li13Tl3 LiAcTl Ac
2023-06-05 23:22:46.593435
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005576296).
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 agm005576296
data_agm005576296
_cell_length_a 6.27447
_cell_length_b 9.37254
_cell_length_c 16.63257
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 978.12393
_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 0.09342 0.16050 0.25000 1.00000
Li2 Li 0.59342 0.33950 0.75000 1.00000
Li3 Li 0.90658 0.83950 0.75000 1.00000
Li4 Li 0.40658 0.66050 0.25000 1.00000
Li5 Li 0.61616 0.32225 0.46613 1.00000
Li6 Li 0.11616 0.17775 0.53387 1.00000
Li7 Li 0.38384 0.67775 0.96613 1.00000
Li8 Li 0.88384 0.82225 0.03387 1.00000
Li9 Li 0.38384 0.67775 0.53387 1.00000
Li10 Li 0.88384 0.82225 0.46613 1.00000
Li11 Li 0.61616 0.32225 0.03387 1.00000
Li12 Li 0.11616 0.17775 0.96613 1.00000
Ac1 Ac 0.13020 0.44802 0.39248 1.00000
Ac2 Ac 0.63020 0.05198 0.60752 1.00000
Ac3 Ac 0.86980 0.55198 0.89248 1.00000
Ac4 Ac 0.36980 0.94802 0.10752 1.00000
Ac5 Ac 0.86980 0.55198 0.60752 1.00000
Ac6 Ac 0.36980 0.94802 0.39248 1.00000
Ac7 Ac 0.13020 0.44802 0.10752 1.00000
Ac8 Ac 0.63020 0.05198 0.89248 1.00000
Ac9 Ac 0.60976 0.31350 0.25000 1.00000
Ac10 Ac 0.10976 0.18650 0.75000 1.00000
Ac11 Ac 0.39024 0.68650 0.75000 1.00000
Ac12 Ac 0.89024 0.81350 0.25000 1.00000
Tl1 Tl 0.86213 0.10768 0.39820 1.00000
Tl2 Tl 0.36213 0.39232 0.60180 1.00000
Tl3 Tl 0.13787 0.89232 0.89820 1.00000
Tl4 Tl 0.63787 0.60768 0.10180 1.00000
Tl5 Tl 0.13787 0.89232 0.60180 1.00000
Tl6 Tl 0.63787 0.60768 0.39820 1.00000
Tl7 Tl 0.86213 0.10768 0.10180 1.00000
Tl8 Tl 0.36213 0.39232 0.89820 1.00000
