Sm2YEr3
Alexandria ALEXAlex-ID: agm005583017 · 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
AB2C3_878_spg12
Sm3(YEr2)2 SmEr2
2023-08-25 12:14:57.525511
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005583017).
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 agm005583017
data_agm005583017
_cell_length_a 3.49376
_cell_length_b 10.19348
_cell_length_c 11.70669
_cell_angle_alpha 108.17583
_cell_angle_beta 98.58167
_cell_angle_gamma 90.00025
_cell_volume 391.19892
_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 0.69130 0.37159 0.38259 1.00000
Sm2 Sm 0.30870 0.62841 0.61741 1.00000
Sm3 Sm 0.06846 0.13656 0.13692 1.00000
Sm4 Sm 0.93154 0.86344 0.86308 1.00000
Y1 Y 0.68788 0.03717 0.37575 1.00000
Y2 Y 0.31212 0.96283 0.62425 1.00000
Er1 Er 0.69467 0.71473 0.38933 1.00000
Er2 Er 0.93030 0.23670 0.86060 1.00000
Er3 Er 0.55872 0.44419 0.11743 1.00000
Er4 Er 0.30533 0.28527 0.61067 1.00000
Er5 Er 0.44128 0.55581 0.88257 1.00000
Er6 Er 0.06970 0.76330 0.13940 1.00000
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