K3HoPu3Te8
Alexandria ALEXAlex-ID: agm004700548 · 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
AB3C3D8_25_spg166
PuTe2 KPuTe2 KHoTe2
2023-02-08 18:29:55.087832
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004700548).
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 agm004700548
data_agm004700548
_cell_length_a 8.97728
_cell_length_b 8.97763
_cell_length_c 9.79918
_cell_angle_alpha 117.28005
_cell_angle_beta 90.00497
_cell_angle_gamma 120.00085
_cell_volume 580.28482
_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
K1 K 0.00000 0.00000 0.00000 1.00000
K2 K 0.00000 0.50000 0.00000 1.00000
K3 K 0.50000 0.50000 0.00000 1.00000
Ho1 Ho 0.00000 0.00000 0.50000 1.00000
Pu1 Pu 0.50000 0.00000 0.50000 1.00000
Pu2 Pu 0.50000 0.50000 0.50000 1.00000
Pu3 Pu 0.00000 0.50000 0.50000 1.00000
Te1 Te 0.26402 0.52807 0.29230 1.00000
Te2 Te 0.73598 0.47193 0.70770 1.00000
Te3 Te 0.76501 0.53009 0.29500 1.00000
Te4 Te 0.23499 0.46991 0.70500 1.00000
Te5 Te 0.76512 0.02973 0.29507 1.00000
Te6 Te 0.23488 0.97027 0.70493 1.00000
Te7 Te 0.26456 0.02974 0.29508 1.00000
Te8 Te 0.73544 0.97026 0.70492 1.00000
获取直接链接