UMn2Si2Ru7
Alexandria ALEXAlex-ID: agm030260352 · 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
AB2C2D7_181_spg44
MnSiRu2 URu3
2024-12-04 12:38:54
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm030260352).
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
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# CIF generated by HEAS from Alexandria entry agm030260352
data_agm030260352
_cell_length_a 10.38836
_cell_length_b 10.38836
_cell_length_c 10.38836
_cell_angle_alpha 157.21786
_cell_angle_beta 157.21786
_cell_angle_gamma 32.43848
_cell_volume 167.96439
_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
U1 U 0.00000 0.00000 0.00000 1.00000
Mn1 Mn 0.17331 0.17331 0.00000 1.00000
Mn2 Mn 0.82669 0.82669 0.00000 1.00000
Si1 Si 0.32662 0.32662 0.00000 1.00000
Si2 Si 0.67338 0.67338 0.00000 1.00000
Ru1 Ru 0.50000 0.50000 0.00000 1.00000
Ru2 Ru 0.75000 0.25000 0.50000 1.00000
Ru3 Ru 0.25000 0.75000 0.50000 1.00000
Ru4 Ru 0.59960 0.09960 0.50000 1.00000
Ru5 Ru 0.09960 0.59960 0.50000 1.00000
Ru6 Ru 0.90040 0.40040 0.50000 1.00000
Ru7 Ru 0.40040 0.90040 0.50000 1.00000
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