Tb5Pm4Nd3
Alexandria ALEXAlex-ID: agm005698048 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C5_119_spg2
Tb5Pm3 TbPmNd Tb
2023-06-29 12:35:44.537567
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698048).
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 agm005698048
data_agm005698048
_cell_length_a 7.23723
_cell_length_b 11.45029
_cell_length_c 13.05773
_cell_angle_alpha 151.29681
_cell_angle_beta 56.38601
_cell_angle_gamma 129.22088
_cell_volume 402.60963
_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 0.33162 0.66617 0.83449 1.00000
Tb2 Tb 0.50000 0.00000 0.50000 1.00000
Tb3 Tb 0.75044 0.50039 0.00033 1.00000
Tb4 Tb 0.24956 0.49961 0.99967 1.00000
Tb5 Tb 0.66838 0.33383 0.16551 1.00000
Pm1 Pm 0.91716 0.83572 0.66810 1.00000
Pm2 Pm 0.83156 0.66372 0.83240 1.00000
Pm3 Pm 0.16844 0.33628 0.16760 1.00000
Pm4 Pm 0.08284 0.16428 0.33190 1.00000
Nd1 Nd 0.58212 0.16509 0.33250 1.00000
Nd2 Nd 0.00000 0.00000 0.50000 1.00000
Nd3 Nd 0.41788 0.83491 0.66750 1.00000
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