Pm3(YTe2)4
Alexandria ALEXAlex-ID: agm047363735 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C8_143_spg166
Pm2(YTe2)3 Y5Te6 PmTe
2025-02-06 19:22:25
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm047363735).
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 agm047363735
data_agm047363735
_cell_length_a 8.80443
_cell_length_b 8.80443
_cell_length_c 8.80753
_cell_angle_alpha 59.83106
_cell_angle_beta 120.16894
_cell_angle_gamma 120.17780
_cell_volume 480.88847
_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
Pm1 Pm 0.00000 0.00000 0.50000 1.00000
Pm2 Pm 0.50000 0.00000 0.00000 1.00000
Pm3 Pm 0.00000 0.50000 0.00000 1.00000
Y1 Y 0.00000 0.00000 0.00000 1.00000
Y2 Y 0.50000 0.50000 0.00000 1.00000
Y3 Y 0.00000 0.50000 0.50000 1.00000
Y4 Y 0.50000 0.00000 0.50000 1.00000
Te1 Te 0.25269 0.74731 0.74721 1.00000
Te2 Te 0.74731 0.25269 0.25279 1.00000
Te3 Te 0.74655 0.25345 0.74110 1.00000
Te4 Te 0.25345 0.74655 0.25890 1.00000
Te5 Te 0.25879 0.25335 0.25334 1.00000
Te6 Te 0.74121 0.74665 0.74666 1.00000
Te7 Te 0.74665 0.74121 0.25334 1.00000
Te8 Te 0.25335 0.25879 0.74666 1.00000
获取直接链接