SrLi2PaTe4
Alexandria ALEXAlex-ID: agm004871685 · 空间群: I-4m2 (#119)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_35_spg8
Li2Te SrTe PaTe2
2023-01-26 05:31:32.795164
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004871685).
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 agm004871685
data_agm004871685
_cell_length_a 6.30499
_cell_length_b 6.30499
_cell_length_c 7.76773
_cell_angle_alpha 113.94370
_cell_angle_beta 113.94370
_cell_angle_gamma 90.00086
_cell_volume 252.86556
_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
Sr1 Sr 0.50000 0.50000 0.00000 1.00000
Li1 Li 0.25000 0.75000 0.50000 1.00000
Li2 Li 0.00000 0.00000 0.00000 1.00000
Pa1 Pa 0.75000 0.25000 0.50000 1.00000
Te1 Te 0.98868 0.48868 0.97736 1.00000
Te2 Te 0.51132 0.01132 0.02264 1.00000
Te3 Te 0.76001 0.76001 0.52001 1.00000
Te4 Te 0.23999 0.23999 0.47999 1.00000
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