Sm2Be3Pt12Au
Alexandria ALEXAlex-ID: agm004495628 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D12_101_spg166
Be5Pt6 Sm3Pt8Au SmPt5 SmPt4Au
2022-06-19 00:29:55.985245
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004495628).
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 agm004495628
data_agm004495628
_cell_length_a 7.55132
_cell_length_b 7.55132
_cell_length_c 7.55132
_cell_angle_alpha 64.47069
_cell_angle_beta 64.47069
_cell_angle_gamma 64.47069
_cell_volume 334.33754
_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 0.60560 0.60560 0.60560 1.00000
Sm2 Sm 0.39440 0.39440 0.39440 1.00000
Be1 Be 0.50000 0.00000 0.00000 1.00000
Be2 Be 0.00000 0.50000 0.00000 1.00000
Be3 Be 0.00000 0.00000 0.50000 1.00000
Pt1 Pt 0.35057 0.35057 0.89834 1.00000
Pt2 Pt 0.86209 0.86209 0.39778 1.00000
Pt3 Pt 0.39778 0.86209 0.86209 1.00000
Pt4 Pt 0.89834 0.35057 0.35057 1.00000
Pt5 Pt 0.86209 0.39778 0.86209 1.00000
Pt6 Pt 0.35057 0.89834 0.35057 1.00000
Pt7 Pt 0.64943 0.64943 0.10166 1.00000
Pt8 Pt 0.13791 0.13791 0.60222 1.00000
Pt9 Pt 0.60222 0.13791 0.13791 1.00000
Pt10 Pt 0.10166 0.64943 0.64943 1.00000
Pt11 Pt 0.13791 0.60222 0.13791 1.00000
Pt12 Pt 0.64943 0.10166 0.64943 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
获取直接链接