Pm4Y7Th
Alexandria ALEXAlex-ID: agm003665532 · 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
AB4C7_85_spg12
Pm5Y Y2Th3 PmY2
2022-04-20 18:20:43.999903
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003665532).
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 agm003665532
data_agm003665532
_cell_length_a 5.97719
_cell_length_b 11.74199
_cell_length_c 6.80569
_cell_angle_alpha 83.48129
_cell_angle_beta 63.95150
_cell_angle_gamma 75.25474
_cell_volume 414.99891
_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 0.64119 0.22307 0.49454 1.00000
Pm2 Pm 0.35881 0.77693 0.50546 1.00000
Pm3 Pm 0.77174 0.66887 0.78765 1.00000
Pm4 Pm 0.22826 0.33113 0.21235 1.00000
Y1 Y 0.78717 0.92312 0.50255 1.00000
Y2 Y 0.21283 0.07688 0.49745 1.00000
Y3 Y 0.06600 0.68519 0.18280 1.00000
Y4 Y 0.93400 0.31481 0.81720 1.00000
Y5 Y 0.36815 0.49611 0.76760 1.00000
Y6 Y 0.50000 0.00000 0.00000 1.00000
Y7 Y 0.63185 0.50389 0.23240 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
获取直接链接