Li(Ho2Tl)2
Alexandria ALEXAlex-ID: agm006015012 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_118_spg166
Ho9Tl4 LiHoTl Ho
2023-10-13 18:23:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006015012).
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
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# CIF generated by HEAS from Alexandria entry agm006015012
data_agm006015012
_cell_length_a 5.23749
_cell_length_b 5.23748
_cell_length_c 8.81218
_cell_angle_alpha 72.71211
_cell_angle_beta 72.71211
_cell_angle_gamma 60.00000
_cell_volume 196.63264
_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 0.00000 0.00000 0.00000 1.00000
Ho1 Ho 0.86847 0.86847 0.39459 1.00000
Ho2 Ho 0.13153 0.13153 0.60541 1.00000
Ho3 Ho 0.61388 0.61388 0.15835 1.00000
Ho4 Ho 0.38612 0.38612 0.84165 1.00000
Tl1 Tl 0.74156 0.74156 0.77531 1.00000
Tl2 Tl 0.25844 0.25844 0.22469 1.00000
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