SmPt3
Alexandria ALEXAlex-ID: agm002243175 · 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
AB3_50_spg166
SmPt3
2018-07-23 18:11:52
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002243175).
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 agm002243175
data_agm002243175
_cell_length_a 5.44844
_cell_length_b 5.44853
_cell_length_c 9.44082
_cell_angle_alpha 73.22401
_cell_angle_beta 73.22553
_cell_angle_gamma 59.99670
_cell_volume 228.82964
_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 0.13915 0.13916 0.58249 1.00000
Sm2 Sm 0.00000 0.00000 0.00000 1.00000
Sm3 Sm 0.86085 0.86084 0.41751 1.00000
Pt1 Pt 0.91920 0.41320 0.25439 1.00000
Pt2 Pt 0.41321 0.41317 0.25425 1.00000
Pt3 Pt 0.58675 0.08083 0.74564 1.00000
Pt4 Pt 0.08080 0.58680 0.74561 1.00000
Pt5 Pt 0.41325 0.91917 0.25436 1.00000
Pt6 Pt 0.58679 0.58683 0.74575 1.00000
Pt7 Pt 0.33273 0.33279 0.00090 1.00000
Pt8 Pt 0.66727 0.66721 0.99910 1.00000
Pt9 Pt 0.50000 0.50000 0.50000 1.00000
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