Sm4Y2Er3
Alexandria ALEXAlex-ID: agm005587340 · 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
A2B3C4_1083_spg12
Sm2Y Sm3(YEr2)2 SmEr2
2023-06-29 07:44:23.426302
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005587340).
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 agm005587340
data_agm005587340
_cell_length_a 3.55691
_cell_length_b 9.68138
_cell_length_c 8.81149
_cell_angle_alpha 79.56726
_cell_angle_beta 101.64422
_cell_angle_gamma 90.00000
_cell_volume 292.06260
_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
Sm1 Sm 0.49866 0.66924 0.99731 1.00000
Sm2 Sm 0.33851 0.21886 0.67702 1.00000
Sm3 Sm 0.50134 0.33076 0.00269 1.00000
Sm4 Sm 0.66149 0.78114 0.32298 1.00000
Y1 Y 0.67761 0.12229 0.35522 1.00000
Y2 Y 0.32239 0.87771 0.64478 1.00000
Er1 Er 0.16121 0.45827 0.32241 1.00000
Er2 Er 0.83879 0.54173 0.67759 1.00000
Er3 Er 0.00000 0.00000 0.00000 1.00000
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