ErMnAl11
Alexandria ALEXAlex-ID: agm005704840 · 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
MnAl6 ErAl3 Al
2023-06-29 13:56:05.140017
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005704840).
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 agm005704840
data_agm005704840
_cell_length_a 5.18472
_cell_length_b 7.04740
_cell_length_c 6.81489
_cell_angle_alpha 82.43678
_cell_angle_beta 67.64175
_cell_angle_gamma 69.75670
_cell_volume 216.06405
_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 0.50000 0.50000 0.00000 1.00000
Al1 Al 0.28851 0.22557 0.21269 1.00000
Al2 Al 0.71149 0.77443 0.78731 1.00000
Al3 Al 0.49880 0.77443 0.21269 1.00000
Al4 Al 0.50120 0.22557 0.78731 1.00000
Al5 Al 0.36704 0.63811 0.65792 1.00000
Al6 Al 0.63296 0.36189 0.34208 1.00000
Al7 Al 0.97504 0.36189 0.65792 1.00000
Al8 Al 0.02496 0.63811 0.34208 1.00000
Al9 Al 0.00000 0.50000 0.00000 1.00000
Al10 Al 0.50000 0.00000 0.50000 1.00000
Al11 Al 0.00000 0.00000 0.50000 1.00000
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