Sr2HPtAu
Alexandria ALEXAlex-ID: agm007638488 · 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
ABCD2_28_spg11
Sr2Pt3 Sr2PtAu Sr2H6Pt SrAu
2024-03-17 00:27:23.051628
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007638488).
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 agm007638488
data_agm007638488
_cell_length_a 4.59053
_cell_length_b 6.24531
_cell_length_c 8.68451
_cell_angle_alpha 70.88775
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 235.25462
_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 0.25000 0.77747 0.41504 1.00000
Sr2 Sr 0.25000 0.76998 0.93465 1.00000
Sr3 Sr 0.75000 0.22253 0.58496 1.00000
Sr4 Sr 0.75000 0.23002 0.06535 1.00000
H1 H 0.75000 0.84813 0.03234 1.00000
H2 H 0.25000 0.15187 0.96766 1.00000
Pt1 Pt 0.75000 0.63415 0.21073 1.00000
Pt2 Pt 0.25000 0.36585 0.78927 1.00000
Au1 Au 0.75000 0.66042 0.69990 1.00000
Au2 Au 0.25000 0.33958 0.30010 1.00000
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