Sm4Y3Mn4
Alexandria ALEXAlex-ID: agm009160664 · 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
A3B4C4_0_spg71
Sm2Y SmY2 Mn
2024-07-03 01:43:54.427543
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009160664).
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 agm009160664
data_agm009160664
_cell_length_a 3.57981
_cell_length_b 5.35312
_cell_length_c 14.98216
_cell_angle_alpha 86.79123
_cell_angle_beta 96.87996
_cell_angle_gamma 90.01947
_cell_volume 284.58489
_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
Sm1 Sm 0.44028 0.51921 0.87939 1.00000
Sm2 Sm 0.55972 0.48079 0.12061 1.00000
Sm3 Sm 0.69695 0.92454 0.39368 1.00000
Sm4 Sm 0.30305 0.07546 0.60632 1.00000
Y1 Y 0.84046 0.55956 0.68066 1.00000
Y2 Y 0.15954 0.44044 0.31934 1.00000
Y3 Y 0.00000 0.00000 0.00000 1.00000
Mn1 Mn 0.89727 0.04094 0.79409 1.00000
Mn2 Mn 0.74154 0.40761 0.48343 1.00000
Mn3 Mn 0.25846 0.59239 0.51657 1.00000
Mn4 Mn 0.10273 0.95906 0.20591 1.00000
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