Pm3Dy3Th4
Alexandria ALEXAlex-ID: agm005690593 · 空间群: Amm2 (#38)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B3C4_6_spg38
DyTh DyTh3 Pm
2023-06-29 08:59:52.922981
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690593).
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 agm005690593
data_agm005690593
_cell_length_a 4.03091
_cell_length_b 9.14933
_cell_length_c 9.14933
_cell_angle_alpha 90.30629
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 337.42326
_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
Pm1 Pm 0.50000 0.83698 0.16302 1.00000
Pm2 Pm 0.50000 0.33754 0.33630 1.00000
Pm3 Pm 0.50000 0.66370 0.66246 1.00000
Dy1 Dy 0.00000 0.49709 0.99834 1.00000
Dy2 Dy 0.00000 0.00166 0.50291 1.00000
Dy3 Dy 0.50000 0.16281 0.83719 1.00000
Th1 Th 0.00000 0.63490 0.36510 1.00000
Th2 Th 0.00000 0.36666 0.63334 1.00000
Th3 Th 0.00000 0.86610 0.86744 1.00000
Th4 Th 0.00000 0.13256 0.13390 1.00000
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