KTeP
Alexandria ALEXAlex-ID: agm005509857 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_6_spg62
KTeP2 KTe
2023-04-25 12:51:16
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005509857).
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 agm005509857
data_agm005509857
_cell_length_a 4.52659
_cell_length_b 7.12665
_cell_length_c 12.40780
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 400.26854
_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
P1 P 0.25000 0.11882 0.38750 1.00000
P2 P 0.75000 0.38118 0.88750 1.00000
P3 P 0.75000 0.88118 0.61250 1.00000
P4 P 0.25000 0.61882 0.11250 1.00000
K1 K 0.25000 0.05301 0.80219 1.00000
K2 K 0.75000 0.44699 0.30219 1.00000
K3 K 0.75000 0.94699 0.19781 1.00000
K4 K 0.25000 0.55301 0.69781 1.00000
Te1 Te 0.25000 0.30373 0.06102 1.00000
Te2 Te 0.75000 0.19627 0.56102 1.00000
Te3 Te 0.75000 0.69627 0.93898 1.00000
Te4 Te 0.25000 0.80373 0.43898 1.00000
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