LiAc2HoTl6
Alexandria ALEXAlex-ID: agm004943751 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_1_spg225
LiHoTl2 AcTl3 Ac3Tl5
2023-01-13 06:21:10.695192
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004943751).
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 agm004943751
data_agm004943751
_cell_length_a 7.62022
_cell_length_b 7.62033
_cell_length_c 7.61050
_cell_angle_alpha 60.03932
_cell_angle_beta 60.03801
_cell_angle_gamma 90.01719
_cell_volume 312.81050
_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
Ac1 Ac 0.24917 0.75084 0.50000 1.00000
Ac2 Ac 0.75083 0.24916 0.50000 1.00000
Ho1 Ho 0.50000 0.50000 0.00000 1.00000
Tl1 Tl 0.23054 0.76945 0.00001 1.00000
Tl2 Tl 0.77240 0.77240 0.99409 1.00000
Tl3 Tl 0.23616 0.23617 0.53832 1.00000
Tl4 Tl 0.76946 0.23055 0.99999 1.00000
Tl5 Tl 0.22760 0.22760 0.00591 1.00000
Tl6 Tl 0.76384 0.76383 0.46168 1.00000
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