Sm2Y3Sc
Alexandria ALEXAlex-ID: agm003407751 · 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_1038_spg12
Sm2Y SmY2 Sc
2022-02-14 12:02:18.302806
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003407751).
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 agm003407751
data_agm003407751
_cell_length_a 3.46086
_cell_length_b 8.97027
_cell_length_c 12.91414
_cell_angle_alpha 78.15824
_cell_angle_beta 82.29950
_cell_angle_gamma 78.87752
_cell_volume 383.14998
_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 0.82015 0.48199 0.87771 1.00000
Sm2 Sm 0.17985 0.51801 0.12229 1.00000
Sm3 Sm 0.65417 0.16193 0.52974 1.00000
Sm4 Sm 0.34583 0.83807 0.47026 1.00000
Y1 Y 0.03605 0.14459 0.78331 1.00000
Y2 Y 0.96395 0.85541 0.21669 1.00000
Y3 Y 0.59928 0.82828 0.97315 1.00000
Y4 Y 0.40072 0.17172 0.02685 1.00000
Y5 Y 0.73997 0.81382 0.70624 1.00000
Y6 Y 0.26003 0.18618 0.29376 1.00000
Sc1 Sc 0.43663 0.48580 0.64093 1.00000
Sc2 Sc 0.56337 0.51420 0.35907 1.00000
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