KTlSbPd
Alexandria ALEXAlex-ID: agm005190032 · 空间群: R3m (#160)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD_1534_spg160
KSbPd Tl
2022-07-10 13:14:06.798765
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005190032).
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 agm005190032
data_agm005190032
_cell_length_a 4.54954
_cell_length_b 4.54839
_cell_length_c 7.36344
_cell_angle_alpha 89.99366
_cell_angle_beta 107.96669
_cell_angle_gamma 119.99667
_cell_volume 123.31162
_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 0.40653 0.06783 0.47463 1.00000
Tl1 Tl 0.97947 0.85440 0.83374 1.00000
Sb1 Sb 0.50887 0.61898 0.12792 1.00000
Pd1 Pd 0.79725 0.26321 0.06025 1.00000
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