CaTb3(DyTe3)2
Alexandria ALEXAlex-ID: agm004615519 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D6_28_spg12
TbTe CaTe DyTe
2022-06-26 17:02:12.598636
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004615519).
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 agm004615519
data_agm004615519
_cell_length_a 4.37848
_cell_length_b 8.78947
_cell_length_c 9.80951
_cell_angle_alpha 103.22512
_cell_angle_beta 102.89561
_cell_angle_gamma 90.00000
_cell_volume 357.71474
_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
Ca1 Ca 0.50000 0.00000 0.00000 1.00000
Tb1 Tb 0.50000 0.50000 0.00000 1.00000
Tb2 Tb 0.83394 0.17580 0.66789 1.00000
Tb3 Tb 0.16606 0.82420 0.33211 1.00000
Dy1 Dy 0.82899 0.65809 0.65799 1.00000
Dy2 Dy 0.17101 0.34191 0.34201 1.00000
Te1 Te 0.33257 0.91679 0.66514 1.00000
Te2 Te 0.66494 0.58061 0.32988 1.00000
Te3 Te 0.66743 0.08321 0.33486 1.00000
Te4 Te 0.00240 0.25158 0.00481 1.00000
Te5 Te 0.99760 0.74842 0.99519 1.00000
Te6 Te 0.33506 0.41939 0.67012 1.00000
获取直接链接