Sm5ThSc
Alexandria ALEXAlex-ID: agm005807628 · 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
ABC5_1359_spg12
Sm SmTh4 Sc
2023-07-15 02:55:05.301880
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005807628).
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 agm005807628
data_agm005807628
_cell_length_a 10.07605
_cell_length_b 16.59052
_cell_length_c 6.16113
_cell_angle_alpha 36.39352
_cell_angle_beta 35.13540
_cell_angle_gamma 24.39350
_cell_volume 236.82824
_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 0.64133 0.27077 0.34905 1.00000
Sm2 Sm 0.19686 0.27119 0.34943 1.00000
Sm3 Sm 0.50042 0.99981 0.99973 1.00000
Sm4 Sm 0.80307 0.72887 0.65033 1.00000
Sm5 Sm 0.35883 0.72927 0.65074 1.00000
Th1 Th 0.99997 0.99999 0.00009 1.00000
Sc1 Sc 0.49953 0.50010 0.50063 1.00000
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