Tb2Pm6Ho5
Alexandria ALEXAlex-ID: agm005672136 · 空间群: Pbam (#55)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C6_66_spg55
TbPm3Ho4 Tb5Pm3 Pm
2023-06-20 12:17:24.447043
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005672136).
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 agm005672136
data_agm005672136
_cell_length_a 3.61520
_cell_length_b 11.70383
_cell_length_c 20.45830
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 865.62436
_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
Tb1 Tb 0.00000 0.33388 0.28848 1.00000
Tb2 Tb 0.00000 0.66612 0.71152 1.00000
Tb3 Tb 0.00000 0.83388 0.21152 1.00000
Tb4 Tb 0.00000 0.16612 0.78848 1.00000
Pm1 Pm 0.00000 0.08230 0.36679 1.00000
Pm2 Pm 0.00000 0.91770 0.63321 1.00000
Pm3 Pm 0.00000 0.58230 0.13321 1.00000
Pm4 Pm 0.00000 0.41770 0.86679 1.00000
Pm5 Pm 0.50000 0.32626 0.13310 1.00000
Pm6 Pm 0.50000 0.67374 0.86690 1.00000
Pm7 Pm 0.50000 0.82626 0.36690 1.00000
Pm8 Pm 0.50000 0.17374 0.63310 1.00000
Pm9 Pm 0.00000 0.55987 0.42043 1.00000
Pm10 Pm 0.00000 0.44013 0.57957 1.00000
Pm11 Pm 0.00000 0.05987 0.07957 1.00000
Pm12 Pm 0.00000 0.94013 0.92043 1.00000
Ho1 Ho 0.50000 0.30157 0.44512 1.00000
Ho2 Ho 0.50000 0.69843 0.55488 1.00000
Ho3 Ho 0.50000 0.80157 0.05488 1.00000
Ho4 Ho 0.50000 0.19843 0.94512 1.00000
Ho5 Ho 0.50000 0.59280 0.27451 1.00000
Ho6 Ho 0.50000 0.40720 0.72549 1.00000
Ho7 Ho 0.50000 0.09280 0.22549 1.00000
Ho8 Ho 0.50000 0.90720 0.77451 1.00000
Ho9 Ho 0.50000 0.50000 0.00000 1.00000
Ho10 Ho 0.50000 0.00000 0.50000 1.00000
