Pr4Y10Tm
Alexandria ALEXAlex-ID: agm005997643 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C10_59_spg139
Y5Tm PrY2 YTm2
2023-08-08 19:51:03.722192
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005997643).
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 agm005997643
data_agm005997643
_cell_length_a 7.93581
_cell_length_b 8.99909
_cell_length_c 8.99909
_cell_angle_alpha 78.78956
_cell_angle_beta 63.83721
_cell_angle_gamma 63.83721
_cell_volume 517.72690
_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
Pr1 Pr 0.22828 0.99954 0.54390 1.00000
Pr2 Pr 0.77218 0.45610 0.99954 1.00000
Pr3 Pr 0.22782 0.54390 0.00046 1.00000
Pr4 Pr 0.77172 0.00046 0.45610 1.00000
Y1 Y 0.25000 0.50000 0.50000 1.00000
Y2 Y 0.70943 0.20918 0.79076 1.00000
Y3 Y 0.08139 0.20924 0.20918 1.00000
Y4 Y 0.49982 0.79076 0.79082 1.00000
Y5 Y 0.70936 0.79082 0.20924 1.00000
Y6 Y 0.29057 0.79082 0.20924 1.00000
Y7 Y 0.75000 0.50000 0.50000 1.00000
Y8 Y 0.29064 0.20918 0.79076 1.00000
Y9 Y 0.50018 0.20924 0.20918 1.00000
Y10 Y 0.91861 0.79076 0.79082 1.00000
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
获取直接链接