Sr(H3Pt)2
Alexandria ALEXAlex-ID: agm098099533 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_6388_spg8
SrH6Pt Pt
2025-04-28 22:45:00
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098099533).
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 agm098099533
data_agm098099533
_cell_length_a 3.90517
_cell_length_b 6.33641
_cell_length_c 9.27687
_cell_angle_alpha 93.96752
_cell_angle_beta 89.99918
_cell_angle_gamma 89.99375
_cell_volume 229.00356
_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 0.00000 0.32729 0.96367 1.00000
Sr2 Sr 0.50000 0.82952 0.46384 1.00000
H1 H 0.99997 0.43071 0.24141 1.00000
H2 H 1.00000 0.62272 0.78767 1.00000
H3 H 0.00001 0.87734 0.28957 1.00000
H4 H 0.99998 0.14610 0.67817 1.00000
H5 H 0.49997 0.92783 0.74203 1.00000
H6 H 0.50000 0.12564 0.28806 1.00000
H7 H 0.50001 0.37424 0.78899 1.00000
H8 H 0.49998 0.64856 0.17777 1.00000
H9 H 0.00002 0.55300 0.54796 1.00000
H10 H 0.00005 0.50021 0.47008 1.00000
H11 H 0.50002 0.05047 0.04877 1.00000
H12 H 0.50004 0.99756 0.97100 1.00000
Pt1 Pt 0.99999 0.13143 0.28541 1.00000
Pt2 Pt 0.00001 0.91318 0.73539 1.00000
Pt3 Pt 0.49997 0.62843 0.78512 1.00000
Pt4 Pt 0.49999 0.41576 0.23511 1.00000
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