PmY7Th3
Alexandria ALEXAlex-ID: agm005962936 · 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
AB3C7_251_spg2
Y2Th Y2Th3 PmY2
2023-08-12 23:58:50.902992
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005962936).
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 agm005962936
data_agm005962936
_cell_length_a 6.72795
_cell_length_b 8.73007
_cell_length_c 6.47408
_cell_angle_alpha 82.84076
_cell_angle_beta 83.34489
_cell_angle_gamma 101.19049
_cell_volume 366.26694
_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 0.50000 0.50000 1.00000
Y1 Y 0.23232 0.20573 0.29137 1.00000
Y2 Y 0.28456 0.85676 0.56824 1.00000
Y3 Y 0.73263 0.42237 0.00737 1.00000
Y4 Y 0.26737 0.57763 0.99263 1.00000
Y5 Y 0.00000 0.50000 0.50000 1.00000
Y6 Y 0.71544 0.14324 0.43176 1.00000
Y7 Y 0.76768 0.79427 0.70863 1.00000
Th1 Th 0.94649 0.83893 0.17594 1.00000
Th2 Th 0.50000 0.00000 0.00000 1.00000
Th3 Th 0.05351 0.16107 0.82406 1.00000
获取直接链接