La2Ho2Tl7
Alexandria ALEXAlex-ID: agm003324965 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_316_spg12
HoTl La3Tl5 LaTl3
2022-01-29 15:43:47.224157
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003324965).
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 agm003324965
data_agm003324965
_cell_length_a 8.19051
_cell_length_b 5.12751
_cell_length_c 8.19051
_cell_angle_alpha 82.05340
_cell_angle_beta 92.67708
_cell_angle_gamma 97.94660
_cell_volume 337.26758
_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
La1 La 0.78557 0.50000 0.78557 1.00000
La2 La 0.21443 0.50000 0.21443 1.00000
Ho1 Ho 0.73992 0.30110 0.26008 1.00000
Ho2 Ho 0.26008 0.69890 0.73992 1.00000
Tl1 Tl 0.04060 0.20930 0.60666 1.00000
Tl2 Tl 0.60666 0.79070 0.04060 1.00000
Tl3 Tl 0.95940 0.79070 0.39334 1.00000
Tl4 Tl 0.39334 0.20930 0.95940 1.00000
Tl5 Tl 0.00000 0.00000 0.00000 1.00000
Tl6 Tl 0.56693 0.77183 0.43307 1.00000
Tl7 Tl 0.43307 0.22817 0.56693 1.00000
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