Sr3Sn8Pt3
Alexandria ALEXAlex-ID: agm005685650 · 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
A3B3C8_0_spg71
SrSn2Pt SrSn3Pt
2023-06-29 12:13:35.134313
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005685650).
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 agm005685650
data_agm005685650
_cell_length_a 5.11368
_cell_length_b 9.04365
_cell_length_c 8.89825
_cell_angle_alpha 67.84243
_cell_angle_beta 73.30113
_cell_angle_gamma 73.57727
_cell_volume 357.92896
_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 0.28850 0.70153 0.72147 1.00000
Sr2 Sr 0.71150 0.29847 0.27853 1.00000
Sr3 Sr 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.13862 0.15353 0.56922 1.00000
Sn2 Sn 0.86138 0.84647 0.43078 1.00000
Sn3 Sn 0.85033 0.43535 0.86400 1.00000
Sn4 Sn 0.14967 0.56465 0.13600 1.00000
Sn5 Sn 0.49834 0.66915 0.33418 1.00000
Sn6 Sn 0.50166 0.33085 0.66582 1.00000
Sn7 Sn 0.34672 0.04604 0.26052 1.00000
Sn8 Sn 0.65328 0.95396 0.73948 1.00000
Pt1 Pt 0.00000 0.50000 0.50000 1.00000
Pt2 Pt 0.65216 0.68444 0.01123 1.00000
Pt3 Pt 0.34784 0.31556 0.98877 1.00000
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