Sr2ZnAs3Pt7
Alexandria ALEXAlex-ID: agm020077012 · 空间群: I-4m2 (#119)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D7_19_spg119
Sr(As3Pt2)2 SrAsPt Sr2Pt7 ZnPt
2024-11-17 04:10:34.985595
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020077012).
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
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# CIF generated by HEAS from Alexandria entry agm020077012
data_agm020077012
_cell_length_a 14.25788
_cell_length_b 14.25788
_cell_length_c 14.25788
_cell_angle_alpha 162.98819
_cell_angle_beta 162.98819
_cell_angle_gamma 24.14840
_cell_volume 248.03452
_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 0.33817 0.33817 0.00000 1.00000
Sr2 Sr 0.66183 0.66183 0.00000 1.00000
Zn1 Zn 0.50000 0.50000 0.00000 1.00000
As1 As 0.11634 0.11634 0.00000 1.00000
As2 As 0.88366 0.88366 0.00000 1.00000
As3 As 0.25000 0.75000 0.50000 1.00000
Pt1 Pt 0.06551 0.56551 0.50000 1.00000
Pt2 Pt 0.56642 0.06642 0.50000 1.00000
Pt3 Pt 0.93358 0.43358 0.50000 1.00000
Pt4 Pt 0.43449 0.93449 0.50000 1.00000
Pt5 Pt 0.20442 0.20442 0.00000 1.00000
Pt6 Pt 0.79558 0.79558 0.00000 1.00000
Pt7 Pt 0.00000 0.00000 0.00000 1.00000
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