Ce(PmTm2)6
Alexandria ALEXAlex-ID: agm006115886 · 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
AB6C12_40_spg148
PmTm2 Ce
2023-08-25 15:25:57.408084
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006115886).
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 agm006115886
data_agm006115886
_cell_length_a 8.65184
_cell_length_b 8.65184
_cell_length_c 8.65184
_cell_angle_alpha 98.97859
_cell_angle_beta 98.97859
_cell_angle_gamma 98.97859
_cell_volume 620.95531
_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
Ce1 Ce 0.00000 0.00000 0.00000 1.00000
Pm1 Pm 0.89985 0.34264 0.89985 1.00000
Pm2 Pm 0.89985 0.89985 0.34264 1.00000
Pm3 Pm 0.34264 0.89985 0.89985 1.00000
Pm4 Pm 0.10015 0.10015 0.65736 1.00000
Pm5 Pm 0.10015 0.65736 0.10015 1.00000
Pm6 Pm 0.65736 0.10015 0.10015 1.00000
Tm1 Tm 0.75566 0.24434 0.50000 1.00000
Tm2 Tm 0.35242 0.07945 0.35242 1.00000
Tm3 Tm 0.35242 0.35242 0.07945 1.00000
Tm4 Tm 0.92055 0.64758 0.64758 1.00000
Tm5 Tm 0.64758 0.64758 0.92055 1.00000
Tm6 Tm 0.64758 0.92055 0.64758 1.00000
Tm7 Tm 0.50000 0.75566 0.24434 1.00000
Tm8 Tm 0.24434 0.50000 0.75566 1.00000
Tm9 Tm 0.24434 0.75566 0.50000 1.00000
Tm10 Tm 0.50000 0.24434 0.75566 1.00000
Tm11 Tm 0.75566 0.50000 0.24434 1.00000
Tm12 Tm 0.07945 0.35242 0.35242 1.00000
获取直接链接