Er6Zn2Ni
Alexandria ALEXAlex-ID: agm005803197 · 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
Er4ZnNi Er2Zn
2023-07-08 23:39:43.036786
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005803197).
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 agm005803197
data_agm005803197
_cell_length_a 8.30788
_cell_length_b 8.30788
_cell_length_c 8.30788
_cell_angle_alpha 110.91412
_cell_angle_beta 110.60468
_cell_angle_gamma 106.92465
_cell_volume 440.76274
_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 0.57632 0.74940 0.82693 1.00000
Er2 Er 0.42368 0.25060 0.17307 1.00000
Er3 Er 0.07753 0.25060 0.82693 1.00000
Er4 Er 0.92247 0.74940 0.17307 1.00000
Er5 Er 0.81237 0.73598 0.54835 1.00000
Er6 Er 0.18764 0.26402 0.45165 1.00000
Er7 Er 0.18764 0.73598 0.92362 1.00000
Er8 Er 0.81237 0.26402 0.07638 1.00000
Er9 Er 0.72162 0.39543 0.67381 1.00000
Er10 Er 0.27838 0.60457 0.32619 1.00000
Er11 Er 0.27838 0.95219 0.67381 1.00000
Er12 Er 0.72162 0.04782 0.32619 1.00000
Zn1 Zn 0.50000 0.37139 0.87139 1.00000
Zn2 Zn 0.50000 0.62861 0.12861 1.00000
Zn3 Zn 0.63786 0.00000 0.63786 1.00000
Zn4 Zn 0.36215 0.00000 0.36214 1.00000
Ni1 Ni 0.99998 0.49998 0.50000 1.00000
Ni2 Ni 0.00000 1.00000 0.00000 1.00000
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