Sr3SnPt2
Alexandria ALEXAlex-ID: agm005673279 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2093_spg11
Sr3Pt2 Sr2SnPt2 Sr3SnPt
2023-08-25 04:02:11.447379
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005673279).
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 agm005673279
data_agm005673279
_cell_length_a 8.45886
_cell_length_b 9.21510
_cell_length_c 9.93081
_cell_angle_alpha 90.00000
_cell_angle_beta 105.42869
_cell_angle_gamma 90.00000
_cell_volume 746.20268
_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 0.34785 0.96905 0.09695 1.00000
Sr2 Sr 0.15215 0.46905 0.40305 1.00000
Sr3 Sr 0.65215 0.03095 0.90305 1.00000
Sr4 Sr 0.84785 0.53095 0.59695 1.00000
Sr5 Sr 0.34780 0.53084 0.09688 1.00000
Sr6 Sr 0.15220 0.03084 0.40312 1.00000
Sr7 Sr 0.65220 0.46916 0.90312 1.00000
Sr8 Sr 0.84780 0.96916 0.59688 1.00000
Sr9 Sr 0.92467 0.75012 0.13736 1.00000
Sr10 Sr 0.57533 0.25012 0.36264 1.00000
Sr11 Sr 0.07533 0.24988 0.86264 1.00000
Sr12 Sr 0.42467 0.74988 0.63736 1.00000
Sn1 Sn 0.62985 0.75015 0.33090 1.00000
Sn2 Sn 0.87015 0.25015 0.16910 1.00000
Sn3 Sn 0.37015 0.24985 0.66910 1.00000
Sn4 Sn 0.12985 0.74985 0.83090 1.00000
Pt1 Pt 0.75003 0.00014 0.24993 1.00000
Pt2 Pt 0.74997 0.50014 0.25007 1.00000
Pt3 Pt 0.24997 0.99986 0.75007 1.00000
Pt4 Pt 0.25003 0.49986 0.74993 1.00000
Pt5 Pt 0.29940 0.74991 0.31357 1.00000
Pt6 Pt 0.20060 0.24991 0.18643 1.00000
Pt7 Pt 0.70060 0.25009 0.68643 1.00000
Pt8 Pt 0.79940 0.75009 0.81357 1.00000
