TbPm12Er7
Alexandria ALEXAlex-ID: agm005784331 · 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
AB7C12_35_spg166
PmEr2 Tb5Pm3 Pm
2023-07-16 08:06:58.474138
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005784331).
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 agm005784331
data_agm005784331
_cell_length_a 6.17026
_cell_length_b 11.49601
_cell_length_c 11.49601
_cell_angle_alpha 116.87122
_cell_angle_beta 100.30628
_cell_angle_gamma 100.30629
_cell_volume 683.59560
_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 0.00000 0.00000 1.00000
Pm1 Pm 0.08750 0.58667 0.17386 1.00000
Pm2 Pm 0.08636 0.17386 0.58719 1.00000
Pm3 Pm 0.58562 0.64708 0.00083 1.00000
Pm4 Pm 0.41521 0.00083 0.35375 1.00000
Pm5 Pm 0.49917 0.41281 0.58667 1.00000
Pm6 Pm 0.06146 0.64625 0.64708 1.00000
Pm7 Pm 0.93854 0.35375 0.35292 1.00000
Pm8 Pm 0.50083 0.58719 0.41333 1.00000
Pm9 Pm 0.58479 0.99917 0.64625 1.00000
Pm10 Pm 0.41438 0.35292 0.99917 1.00000
Pm11 Pm 0.91364 0.82614 0.41281 1.00000
Pm12 Pm 0.91250 0.41333 0.82614 1.00000
Er1 Er 0.12656 0.75627 0.00071 1.00000
Er2 Er 0.87415 0.00071 0.24444 1.00000
Er3 Er 0.62970 0.75556 0.75627 1.00000
Er4 Er 0.50000 0.00000 0.00000 1.00000
Er5 Er 0.37030 0.24444 0.24373 1.00000
Er6 Er 0.12585 0.99929 0.75556 1.00000
Er7 Er 0.87344 0.24373 0.99929 1.00000
