Y2ThFe9
Alexandria ALEXAlex-ID: agm054873300 · 空间群: R3m (#160)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C9_358_spg160
Y2ThFe9
2024-12-05 03:16:47
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm054873300).
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 agm054873300
data_agm054873300
_cell_length_a 8.72382
_cell_length_b 8.72382
_cell_length_c 8.72382
_cell_angle_alpha 34.13407
_cell_angle_beta 34.13407
_cell_angle_gamma 34.13407
_cell_volume 186.38340
_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
Y1 Y 0.85929 0.85929 0.85929 1.00000
Y2 Y 0.99813 0.99813 0.99813 1.00000
Th1 Th 0.14085 0.14085 0.14085 1.00000
Fe1 Fe 0.58042 0.58042 0.08147 1.00000
Fe2 Fe 0.58042 0.08147 0.58042 1.00000
Fe3 Fe 0.08147 0.58042 0.58042 1.00000
Fe4 Fe 0.41952 0.41952 0.91870 1.00000
Fe5 Fe 0.41952 0.91870 0.41952 1.00000
Fe6 Fe 0.91870 0.41952 0.41952 1.00000
Fe7 Fe 0.33281 0.33281 0.33281 1.00000
Fe8 Fe 0.66683 0.66683 0.66683 1.00000
Fe9 Fe 0.50113 0.50113 0.50113 1.00000
获取直接链接