K5Tl2Au5
Alexandria ALEXAlex-ID: agm005666906 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C5_19_spg12
KTlAu KAu
2023-06-19 01:35:35.827340
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005666906).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm005666906
data_agm005666906
_cell_length_a 4.72980
_cell_length_b 9.00579
_cell_length_c 9.85735
_cell_angle_alpha 87.87569
_cell_angle_beta 76.11865
_cell_angle_gamma 74.77576
_cell_volume 393.16064
_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 0.00000 0.50000 0.50000 1.00000
K2 K 0.67427 0.77124 0.88022 1.00000
K3 K 0.38620 0.90768 0.31993 1.00000
K4 K 0.61380 0.09232 0.68007 1.00000
K5 K 0.32573 0.22876 0.11978 1.00000
Tl1 Tl 0.34277 0.48565 0.82881 1.00000
Tl2 Tl 0.65723 0.51435 0.17119 1.00000
Au1 Au 0.69708 0.24243 0.36340 1.00000
Au2 Au 0.90585 0.30047 0.88783 1.00000
Au3 Au 0.09415 0.69953 0.11217 1.00000
Au4 Au 0.30292 0.75757 0.63660 1.00000
Au5 Au 0.00000 0.00000 0.00000 1.00000
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