CaPm4Sm3Te8
Alexandria ALEXAlex-ID: agm004733751 · 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
AB3C4D8_20_spg12
PmTe CaTe SmTe
2023-02-03 05:51:39.231179
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004733751).
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 agm004733751
data_agm004733751
_cell_length_a 8.91856
_cell_length_b 8.92613
_cell_length_c 8.91842
_cell_angle_alpha 119.97007
_cell_angle_beta 120.00051
_cell_angle_gamma 90.00000
_cell_volume 502.25477
_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 0.00000 0.50000 0.00000 1.00000
Pm1 Pm 0.50000 0.00000 0.00000 1.00000
Pm2 Pm 0.50000 0.00000 0.50000 1.00000
Pm3 Pm 0.00000 0.00000 0.00000 1.00000
Pm4 Pm 0.00000 0.00000 0.50000 1.00000
Sm1 Sm 0.50000 0.50000 0.00000 1.00000
Sm2 Sm 0.50000 0.50000 0.50000 1.00000
Sm3 Sm 0.00000 0.50000 0.50000 1.00000
Te1 Te 0.24799 0.74673 0.99878 1.00000
Te2 Te 0.24798 0.74676 0.49597 1.00000
Te3 Te 0.25058 0.25185 0.50116 1.00000
Te4 Te 0.75079 0.74673 0.99878 1.00000
Te5 Te 0.24921 0.25327 0.00122 1.00000
Te6 Te 0.74942 0.74815 0.49884 1.00000
Te7 Te 0.75202 0.25324 0.50403 1.00000
Te8 Te 0.75201 0.25327 0.00122 1.00000
获取直接链接