Mn2TlTe4
Alexandria ALEXAlex-ID: agm003459112 · 空间群: Fd-3m (#227)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_6_spg74
Tl2Te Mn MnTe2
2022-02-18 02:34:18.016793
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003459112).
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 agm003459112
data_agm003459112
_cell_length_a 8.51039
_cell_length_b 8.51103
_cell_length_c 8.50635
_cell_angle_alpha 120.01656
_cell_angle_beta 120.01470
_cell_angle_gamma 89.98716
_cell_volume 435.51490
_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
Mn1 Mn 0.62487 0.37498 0.75004 1.00000
Mn2 Mn 0.62509 0.87528 0.25012 1.00000
Mn3 Mn 0.62498 0.37486 0.25002 1.00000
Mn4 Mn 0.12526 0.37509 0.75015 1.00000
Tl1 Tl 0.24965 0.74997 0.49969 1.00000
Tl2 Tl 0.99992 0.99957 0.99959 1.00000
Te1 Te 0.85689 0.14344 0.28682 1.00000
Te2 Te 0.39356 0.60676 0.21338 1.00000
Te3 Te 0.85656 0.56955 0.71323 1.00000
Te4 Te 0.85675 0.14356 0.71339 1.00000
Te5 Te 0.43004 0.14347 0.28680 1.00000
Te6 Te 0.39343 0.18006 0.78676 1.00000
Te7 Te 0.39341 0.60686 0.78680 1.00000
Te8 Te 0.81958 0.60655 0.21320 1.00000
获取直接链接