Er6Fe2Sn
Alexandria ALEXAlex-ID: agm003502425 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_730_spg71
Er3Fe ErFe2 Er5Sn3
2022-02-24 12:58:35.608331
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003502425).
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 agm003502425
data_agm003502425
_cell_length_a 8.33326
_cell_length_b 8.33326
_cell_length_c 8.33326
_cell_angle_alpha 106.98012
_cell_angle_beta 110.27895
_cell_angle_gamma 111.18431
_cell_volume 444.81768
_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 0.52518 0.71297 0.81221 1.00000
Er2 Er 0.47482 0.28703 0.18779 1.00000
Er3 Er 0.09923 0.28703 0.81221 1.00000
Er4 Er 0.90077 0.71297 0.18779 1.00000
Er5 Er 0.78338 0.76869 0.55207 1.00000
Er6 Er 0.21662 0.23131 0.44793 1.00000
Er7 Er 0.21662 0.76869 0.98531 1.00000
Er8 Er 0.78338 0.23131 0.01469 1.00000
Er9 Er 0.70108 0.38760 0.68652 1.00000
Er10 Er 0.29892 0.61240 0.31348 1.00000
Er11 Er 0.29892 0.98544 0.68652 1.00000
Er12 Er 0.70108 0.01456 0.31348 1.00000
Fe1 Fe 0.50000 0.39102 0.89102 1.00000
Fe2 Fe 0.50000 0.60898 0.10898 1.00000
Fe3 Fe 0.61433 0.00000 0.61433 1.00000
Fe4 Fe 0.38567 1.00000 0.38567 1.00000
Sn1 Sn 0.00000 0.50000 0.50000 1.00000
Sn2 Sn 0.00000 0.00000 0.00000 1.00000
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