Sm4ZnTc
Alexandria ALEXAlex-ID: agm005807969 · 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
ABC4_1160_spg15
Sm4Zn3 Sm2ZnTc3 Sm
2023-07-31 17:17:01.079245
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005807969).
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 agm005807969
data_agm005807969
_cell_length_a 6.39744
_cell_length_b 7.68296
_cell_length_c 7.68296
_cell_angle_alpha 112.84880
_cell_angle_beta 98.62017
_cell_angle_gamma 98.62014
_cell_volume 334.97147
_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 0.91018 0.62888 0.78767 1.00000
Sm2 Sm 0.03835 0.93478 0.27847 1.00000
Sm3 Sm 0.58982 0.21233 0.37112 1.00000
Sm4 Sm 0.46165 0.72153 0.06522 1.00000
Sm5 Sm 0.53835 0.27847 0.93478 1.00000
Sm6 Sm 0.41018 0.78767 0.62888 1.00000
Sm7 Sm 0.96165 0.06522 0.72153 1.00000
Sm8 Sm 0.08982 0.37112 0.21233 1.00000
Zn1 Zn 0.75000 0.62660 0.37340 1.00000
Zn2 Zn 0.25000 0.37340 0.62660 1.00000
Tc1 Tc 0.25000 0.99867 0.00133 1.00000
Tc2 Tc 0.75000 0.00133 0.99867 1.00000
获取直接链接