Li5(HoTl2)2
Alexandria ALEXAlex-ID: agm005674152 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_154_spg69
Li8Tl3 LiHoTl2 LiHoTl
2023-06-22 01:29:31.794048
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005674152).
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 agm005674152
data_agm005674152
_cell_length_a 6.16922
_cell_length_b 5.58591
_cell_length_c 9.61586
_cell_angle_alpha 79.79673
_cell_angle_beta 71.28968
_cell_angle_gamma 56.48105
_cell_volume 261.66417
_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 0.00000 0.00000 1.00000
Li2 Li 0.00000 0.50000 0.00000 1.00000
Li3 Li 0.50000 0.50000 0.00000 1.00000
Li4 Li 0.25000 0.50000 0.50000 1.00000
Li5 Li 0.75000 0.50000 0.50000 1.00000
Ho1 Ho 0.88067 0.00000 0.23866 1.00000
Ho2 Ho 0.11933 1.00000 0.76134 1.00000
Tl1 Tl 0.79190 0.67598 0.74021 1.00000
Tl2 Tl 0.20810 0.32402 0.25979 1.00000
Tl3 Tl 0.53211 0.67598 0.25979 1.00000
Tl4 Tl 0.46789 0.32402 0.74021 1.00000
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