K2Tl6Pt
Alexandria ALEXAlex-ID: agm005777080 · 空间群: Fm-3m (#225)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_545_spg225
KTl4Pt K6Tl17 KTl2Pt
2023-07-08 06:14:09.492561
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005777080).
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 agm005777080
data_agm005777080
_cell_length_a 7.36562
_cell_length_b 7.36562
_cell_length_c 7.36328
_cell_angle_alpha 59.93176
_cell_angle_beta 59.93175
_cell_angle_gamma 59.95884
_cell_volume 282.09207
_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
K1 K 0.24993 0.24993 0.24950 1.00000
K2 K 0.75007 0.75007 0.75050 1.00000
Tl1 Tl 0.22837 0.22837 0.77089 1.00000
Tl2 Tl 0.22845 0.77147 0.22843 1.00000
Tl3 Tl 0.77155 0.22853 0.77157 1.00000
Tl4 Tl 0.77147 0.22845 0.22843 1.00000
Tl5 Tl 0.22853 0.77155 0.77157 1.00000
Tl6 Tl 0.77163 0.77163 0.22911 1.00000
Pt1 Pt 0.50000 0.50000 0.50000 1.00000
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