Tb3PmDyTh
Alexandria ALEXAlex-ID: agm005028343 · 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
ABCD3_468_spg12
TbDyTh2 Tb5Dy Tb2Pm3Dy Tb2Th
2022-07-09 15:41:56.515551
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005028343).
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 agm005028343
data_agm005028343
_cell_length_a 5.63968
_cell_length_b 10.44957
_cell_length_c 6.94165
_cell_angle_alpha 88.37672
_cell_angle_beta 90.00000
_cell_angle_gamma 105.65548
_cell_volume 393.74023
_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 0.83977 0.67955 0.25813 1.00000
Tb2 Tb 0.77972 0.55945 0.75682 1.00000
Tb3 Tb 0.47875 0.95750 0.25320 1.00000
Tb4 Tb 0.22028 0.44055 0.24318 1.00000
Tb5 Tb 0.52125 0.04250 0.74680 1.00000
Tb6 Tb 0.16023 0.32045 0.74187 1.00000
Pm1 Pm 0.35545 0.71090 0.95886 1.00000
Pm2 Pm 0.64455 0.28910 0.04114 1.00000
Dy1 Dy 0.65086 0.30172 0.47251 1.00000
Dy2 Dy 0.34914 0.69828 0.52749 1.00000
Th1 Th 0.05697 0.11393 0.28306 1.00000
Th2 Th 0.94303 0.88607 0.71694 1.00000
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