Ho6TlSi2
Alexandria ALEXAlex-ID: agm005695959 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_160_spg71
Ho5TlSi2 Ho
2023-07-12 22:45:19.882941
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005695959).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005695959
data_agm005695959
_cell_length_a 8.48011
_cell_length_b 8.48011
_cell_length_c 8.48011
_cell_angle_alpha 112.21651
_cell_angle_beta 110.83583
_cell_angle_gamma 105.43833
_cell_volume 467.64037
_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
Ho1 Ho 0.18510 0.72227 0.90737 1.00000
Ho2 Ho 0.81490 0.27773 0.09263 1.00000
Ho3 Ho 0.18510 0.27773 0.46283 1.00000
Ho4 Ho 0.81490 0.72227 0.53717 1.00000
Ho5 Ho 0.96477 0.75948 0.20529 1.00000
Ho6 Ho 0.03523 0.24052 0.79471 1.00000
Ho7 Ho 0.55419 0.75948 0.79471 1.00000
Ho8 Ho 0.44581 0.24052 0.20529 1.00000
Ho9 Ho 0.67934 0.38256 0.70322 1.00000
Ho10 Ho 0.32066 0.61744 0.29678 1.00000
Ho11 Ho 0.67934 0.97612 0.29678 1.00000
Ho12 Ho 0.32066 0.02388 0.70322 1.00000
Tl1 Tl 0.50000 0.50000 0.00000 1.00000
Tl2 Tl 0.00000 0.00000 0.00000 1.00000
Si1 Si 0.88370 0.38370 0.50000 1.00000
Si2 Si 0.11630 0.61630 0.50000 1.00000
Si3 Si 0.36895 0.00000 0.36895 1.00000
Si4 Si 0.63105 0.00000 0.63105 1.00000
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