NaHo5Tl8
Alexandria ALEXAlex-ID: agm003682575 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C8_5_spg82
NaHoTl2 HoTl HoTl3
2022-04-10 12:29:33.241372
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003682575).
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 agm003682575
data_agm003682575
_cell_length_a 8.00710
_cell_length_b 8.00710
_cell_length_c 8.00710
_cell_angle_alpha 109.16409
_cell_angle_beta 110.08725
_cell_angle_gamma 109.16409
_cell_volume 395.15336
_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
Na1 Na 0.25000 0.50000 0.75000 1.00000
Ho1 Ho 0.97976 0.40284 0.14225 1.00000
Ho2 Ho 0.85775 0.83751 0.26059 1.00000
Ho3 Ho 0.73941 0.59716 0.57692 1.00000
Ho4 Ho 0.50000 0.00000 0.50000 1.00000
Ho5 Ho 0.42308 0.16249 0.02024 1.00000
Tl1 Tl 0.12381 0.76925 0.02531 1.00000
Tl2 Tl 0.97469 0.09850 0.74394 1.00000
Tl3 Tl 0.79784 0.21831 0.37496 1.00000
Tl4 Tl 0.62504 0.42288 0.84335 1.00000
Tl5 Tl 0.42047 0.57712 0.20216 1.00000
Tl6 Tl 0.64544 0.90150 0.87619 1.00000
Tl7 Tl 0.25606 0.23075 0.35456 1.00000
Tl8 Tl 0.15665 0.78169 0.57953 1.00000
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