KPa(TlTe2)2
Alexandria ALEXAlex-ID: agm004861237 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_343_spg10
PaTl3Te4 K3PaTe4
2022-07-16 17:13:56.956231
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004861237).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm004861237
data_agm004861237
_cell_length_a 4.60030
_cell_length_b 8.38526
_cell_length_c 8.31904
_cell_angle_alpha 72.47461
_cell_angle_beta 89.99973
_cell_angle_gamma 89.99969
_cell_volume 306.00939
_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 0.50000 0.50000 1.00000 1.00000
Pa1 Pa 0.00000 0.49999 0.50000 1.00000
Tl1 Tl 0.00000 0.00000 1.00000 1.00000
Tl2 Tl 0.50000 0.00000 0.50000 1.00000
Te1 Te 0.00000 0.72383 0.71206 1.00000
Te2 Te 1.00000 0.27617 0.28794 1.00000
Te3 Te 0.50000 0.71379 0.29332 1.00000
Te4 Te 0.50000 0.28622 0.70668 1.00000
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