Co5Te12Pd
Alexandria ALEXAlex-ID: agm067656335 · 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
AB5C12_78_spg2
Co(Te3Pd)2 CoTe2
2024-11-07 05:03:13.405756
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm067656335).
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 agm067656335
data_agm067656335
_cell_length_a 6.57874
_cell_length_b 6.57874
_cell_length_c 11.77401
_cell_angle_alpha 84.61732
_cell_angle_beta 84.61732
_cell_angle_gamma 119.86467
_cell_volume 434.09201
_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
Co1 Co 0.50000 0.50000 0.50000 1.00000
Co2 Co 0.16551 0.83449 0.50000 1.00000
Co3 Co 0.83449 0.16551 0.50000 1.00000
Co4 Co 0.66662 0.33338 0.00000 1.00000
Co5 Co 0.33338 0.66662 0.00000 1.00000
Te1 Te 0.87116 0.87116 0.38504 1.00000
Te2 Te 0.12884 0.12884 0.61496 1.00000
Te3 Te 0.68925 0.68925 0.87992 1.00000
Te4 Te 0.31075 0.31075 0.12008 1.00000
Te5 Te 0.39161 0.04044 0.88013 1.00000
Te6 Te 0.95956 0.60839 0.11987 1.00000
Te7 Te 0.04044 0.39161 0.88013 1.00000
Te8 Te 0.60839 0.95956 0.11987 1.00000
Te9 Te 0.46225 0.79578 0.61335 1.00000
Te10 Te 0.79578 0.46225 0.61335 1.00000
Te11 Te 0.20422 0.53775 0.38665 1.00000
Te12 Te 0.53775 0.20422 0.38665 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
获取直接链接