Sr3Pt5Pb6
Alexandria ALEXAlex-ID: agm005702283 · 空间群: Pmmn (#59)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B5C6_16_spg59
Sr2Pt3Pb5 Sr(PtPb2)2 SrPt2
2023-06-30 16:00:24.267390
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005702283).
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 agm005702283
data_agm005702283
_cell_length_a 4.65275
_cell_length_b 10.38684
_cell_length_c 14.53886
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 702.62555
_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
Sr1 Sr 0.00000 0.24929 0.70102 1.00000
Sr2 Sr 0.50000 0.75071 0.20102 1.00000
Sr3 Sr 0.50000 0.75071 0.79898 1.00000
Sr4 Sr 0.00000 0.26734 0.00000 1.00000
Sr5 Sr 0.50000 0.73266 0.50000 1.00000
Sr6 Sr 0.00000 0.24929 0.29898 1.00000
Pt1 Pt 0.00000 0.54638 0.88481 1.00000
Pt2 Pt 0.00000 0.86061 0.65680 1.00000
Pt3 Pt 0.00000 0.78984 0.00000 1.00000
Pt4 Pt 0.50000 0.45362 0.61519 1.00000
Pt5 Pt 0.50000 0.21016 0.50000 1.00000
Pt6 Pt 0.00000 0.54638 0.11519 1.00000
Pt7 Pt 0.50000 0.45362 0.38481 1.00000
Pt8 Pt 0.00000 0.86061 0.34320 1.00000
Pt9 Pt 0.50000 0.13939 0.84320 1.00000
Pt10 Pt 0.50000 0.13939 0.15680 1.00000
Pb1 Pb 0.00000 0.98124 0.84212 1.00000
Pb2 Pb 0.50000 0.01876 0.65788 1.00000
Pb3 Pb 0.50000 0.40865 0.82094 1.00000
Pb4 Pb 0.50000 0.60459 0.00000 1.00000
Pb5 Pb 0.00000 0.39541 0.50000 1.00000
Pb6 Pb 0.00000 0.59135 0.67906 1.00000
Pb7 Pb 0.00000 0.59135 0.32094 1.00000
Pb8 Pb 0.50000 0.96725 0.00000 1.00000
Pb9 Pb 0.00000 0.98124 0.15788 1.00000
Pb10 Pb 0.50000 0.40865 0.17906 1.00000
Pb11 Pb 0.00000 0.03275 0.50000 1.00000
Pb12 Pb 0.50000 0.01876 0.34212 1.00000
