Sr3As3Pt8
Alexandria ALEXAlex-ID: agm008635566 · 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_40_spg12
SrAsPt Sr2Pt7 Sr(As3Pt2)2
2024-03-03 00:37:54.729314
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008635566).
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 agm008635566
data_agm008635566
_cell_length_a 8.67573
_cell_length_b 8.67573
_cell_length_c 9.24977
_cell_angle_alpha 62.40691
_cell_angle_beta 62.40691
_cell_angle_gamma 28.16697
_cell_volume 288.74839
_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 0.29621 0.29621 0.15081 1.00000
Sr2 Sr 0.70379 0.70379 0.84919 1.00000
Sr3 Sr 0.00000 0.00000 0.50000 1.00000
As1 As 0.00000 0.00000 0.00000 1.00000
As2 As 0.68104 0.68104 0.48099 1.00000
As3 As 0.31896 0.31896 0.51901 1.00000
Pt1 Pt 0.09905 0.09905 0.13130 1.00000
Pt2 Pt 0.90095 0.90095 0.86870 1.00000
Pt3 Pt 0.86107 0.86107 0.35162 1.00000
Pt4 Pt 0.13893 0.13893 0.64838 1.00000
Pt5 Pt 0.51716 0.51716 0.80984 1.00000
Pt6 Pt 0.48284 0.48284 0.19016 1.00000
Pt7 Pt 0.36005 0.36005 0.73874 1.00000
Pt8 Pt 0.63995 0.63995 0.26126 1.00000
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