Y2Th5Mn2
Alexandria ALEXAlex-ID: agm009689001 · 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
A2B2C5_220_spg12
Y2Th3 Th Mn
2024-03-30 11:01:32
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009689001).
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 agm009689001
data_agm009689001
_cell_length_a 9.21330
_cell_length_b 9.21330
_cell_length_c 8.56218
_cell_angle_alpha 63.51506
_cell_angle_beta 63.51506
_cell_angle_gamma 22.85610
_cell_volume 251.39002
_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 0.57580 0.57580 0.08156 1.00000
Y2 Y 0.42420 0.42420 0.91844 1.00000
Th1 Th 0.64892 0.64892 0.60026 1.00000
Th2 Th 0.35108 0.35108 0.39974 1.00000
Th3 Th 0.78834 0.78834 0.80653 1.00000
Th4 Th 0.21166 0.21166 0.19347 1.00000
Th5 Th 0.00000 0.00000 0.50000 1.00000
Mn1 Mn 0.81201 0.81201 0.22157 1.00000
Mn2 Mn 0.18799 0.18799 0.77843 1.00000
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