TlCrCuTe3
Alexandria ALEXAlex-ID: agm002145332 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD3_1_spg11
Tl2Te Tl2Te3 Tl(CuTe)2 Cr2CuTe4
2018-06-12 00:49:17
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002145332).
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 agm002145332
data_agm002145332
_cell_length_a 3.97766
_cell_length_b 8.60713
_cell_length_c 10.54663
_cell_angle_alpha 114.27721
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 329.14621
_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
Cr1 Cr 0.25000 0.31150 0.83717 1.00000
Cr2 Cr 0.75000 0.68850 0.16283 1.00000
Tl1 Tl 0.25000 0.74110 0.71457 1.00000
Tl2 Tl 0.75000 0.25890 0.28543 1.00000
Te1 Te 0.75000 0.09838 0.84699 1.00000
Te2 Te 0.25000 0.90162 0.15301 1.00000
Te3 Te 0.25000 0.25550 0.56208 1.00000
Te4 Te 0.75000 0.74450 0.43792 1.00000
Te5 Te 0.75000 0.54743 0.87730 1.00000
Te6 Te 0.25000 0.45257 0.12270 1.00000
Cu1 Cu 0.25000 0.92456 0.40620 1.00000
Cu2 Cu 0.75000 0.07544 0.59380 1.00000
获取直接链接