Y7(ErIn)2
Alexandria ALEXAlex-ID: agm003326239 · 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
A2B2C7_231_spg12
YEr5 Y5Er Y2In
2022-01-22 15:28:36.497607
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003326239).
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 agm003326239
data_agm003326239
_cell_length_a 8.44226
_cell_length_b 6.51806
_cell_length_c 6.51806
_cell_angle_alpha 97.71740
_cell_angle_beta 77.68248
_cell_angle_gamma 77.68248
_cell_volume 336.21852
_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
Y1 Y 0.17311 0.12092 0.48072 1.00000
Y2 Y 0.82689 0.51928 0.87908 1.00000
Y3 Y 0.82689 0.87908 0.51928 1.00000
Y4 Y 0.17311 0.48072 0.12092 1.00000
Y5 Y 0.00000 0.00000 0.00000 1.00000
Y6 Y 0.42030 0.85671 0.85671 1.00000
Y7 Y 0.57970 0.14329 0.14329 1.00000
Er1 Er 0.50000 0.31639 0.68361 1.00000
Er2 Er 0.50000 0.68361 0.31639 1.00000
In1 In 0.82608 0.37748 0.37748 1.00000
In2 In 0.17392 0.62252 0.62252 1.00000
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