K8H8Pt3
Alexandria ALEXAlex-ID: agm005581022 · 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
A3B8C8_0_spg12
K2H2Pt K2H4Pt K
2023-06-08 16:50:28.189626
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005581022).
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 agm005581022
data_agm005581022
_cell_length_a 5.42962
_cell_length_b 7.90630
_cell_length_c 10.71594
_cell_angle_alpha 110.07132
_cell_angle_beta 104.67544
_cell_angle_gamma 90.00000
_cell_volume 416.06362
_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
K1 K 0.02181 0.27462 0.04363 1.00000
K2 K 0.97819 0.72538 0.95637 1.00000
K3 K 0.33684 0.55590 0.67369 1.00000
K4 K 0.66316 0.44410 0.32631 1.00000
K5 K 0.39141 0.07273 0.78282 1.00000
K6 K 0.60859 0.92727 0.21718 1.00000
K7 K 0.21644 0.79375 0.43287 1.00000
K8 K 0.78356 0.20625 0.56713 1.00000
H1 H 0.12527 0.96165 0.25055 1.00000
H2 H 0.87473 0.03835 0.74945 1.00000
H3 H 0.18986 0.40833 0.37972 1.00000
H4 H 0.81014 0.59167 0.62028 1.00000
H5 H 0.25950 0.17977 0.51900 1.00000
H6 H 0.74050 0.82023 0.48100 1.00000
H7 H 0.47869 0.68511 0.95738 1.00000
H8 H 0.52131 0.31489 0.04262 1.00000
Pt1 Pt 0.50000 0.50000 0.00000 1.00000
Pt2 Pt 0.17416 0.18337 0.34832 1.00000
Pt3 Pt 0.82584 0.81663 0.65168 1.00000
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