ErMn11Si
Alexandria ALEXAlex-ID: agm024206648 · 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
ABC11_0_spg12
ErMnSi Mn
2024-11-09 00:46:39.122504
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024206648).
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 agm024206648
data_agm024206648
_cell_length_a 6.28558
_cell_length_b 6.28558
_cell_length_c 6.29033
_cell_angle_alpha 82.23580
_cell_angle_beta 82.23580
_cell_angle_gamma 136.15675
_cell_volume 160.48190
_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
Er1 Er 0.00000 0.00000 0.00000 1.00000
Mn1 Mn 0.27559 0.50672 0.22550 1.00000
Mn2 Mn 0.72441 0.49328 0.77450 1.00000
Mn3 Mn 0.49328 0.72441 0.77450 1.00000
Mn4 Mn 0.50672 0.27559 0.22550 1.00000
Mn5 Mn 0.36093 0.99423 0.63708 1.00000
Mn6 Mn 0.63907 0.00577 0.36292 1.00000
Mn7 Mn 0.00577 0.63907 0.36292 1.00000
Mn8 Mn 0.99423 0.36093 0.63708 1.00000
Mn9 Mn 0.50000 0.50000 0.50000 1.00000
Mn10 Mn 0.00000 0.50000 0.00000 1.00000
Mn11 Mn 0.50000 0.00000 0.00000 1.00000
Si1 Si 0.00000 0.00000 0.50000 1.00000
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