Sr2Si2Pt3
Alexandria ALEXAlex-ID: agm003309342 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_252_spg12
SrSiPt2 SrSiPt
2022-02-03 22:55:04.007756
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003309342).
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}
}
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# CIF generated by HEAS from Alexandria entry agm003309342
data_agm003309342
_cell_length_a 3.95631
_cell_length_b 6.08839
_cell_length_c 7.37331
_cell_angle_alpha 116.31502
_cell_angle_beta 90.00000
_cell_angle_gamma 108.95988
_cell_volume 148.37368
_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 0.87419 0.74837 0.23929 1.00000
Sr2 Sr 0.12581 0.25163 0.76071 1.00000
Si1 Si 0.85532 0.71064 0.77194 1.00000
Si2 Si 0.14468 0.28936 0.22806 1.00000
Pt1 Pt 0.50000 0.00000 0.00000 1.00000
Pt2 Pt 0.65054 0.30108 0.42350 1.00000
Pt3 Pt 0.34946 0.69892 0.57650 1.00000
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