Sm4O
Alexandria ALEXAlex-ID: agm005545152 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4_96_spg15
Sm2O3 Sm
2023-05-29 01:29:54.741941
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005545152).
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 agm005545152
data_agm005545152
_cell_length_a 5.33312
_cell_length_b 6.57109
_cell_length_c 9.96465
_cell_angle_alpha 77.17053
_cell_angle_beta 74.47838
_cell_angle_gamma 66.05860
_cell_volume 304.95756
_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 0.88403 0.30646 0.93350 1.00000
Sm2 Sm 0.38178 0.05193 0.18690 1.00000
Sm3 Sm 0.12399 0.19354 0.56650 1.00000
Sm4 Sm 0.61822 0.94807 0.81310 1.00000
Sm5 Sm 0.62061 0.44807 0.31310 1.00000
Sm6 Sm 0.87601 0.80646 0.43350 1.00000
Sm7 Sm 0.37939 0.55193 0.68690 1.00000
Sm8 Sm 0.11597 0.69354 0.06650 1.00000
O1 O 0.25174 0.25000 0.75000 1.00000
O2 O 0.74826 0.75000 0.25000 1.00000
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