Pa3OsPt2
Alexandria ALEXAlex-ID: agm005755763 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2874_spg14
Pa6OsPt5 Pa2OsPt
2023-08-24 06:09:24.280685
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755763).
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 agm005755763
data_agm005755763
_cell_length_a 5.64687
_cell_length_b 10.62843
_cell_length_c 10.15242
_cell_angle_alpha 90.00073
_cell_angle_beta 54.41742
_cell_angle_gamma 90.00241
_cell_volume 495.54704
_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
Pa1 Pa 0.28834 0.64048 0.57140 1.00000
Pa2 Pa 0.21160 0.14048 0.92864 1.00000
Pa3 Pa 0.26215 0.66304 0.92382 1.00000
Pa4 Pa 0.23783 0.16305 0.57620 1.00000
Pa5 Pa 0.19261 0.64575 0.26198 1.00000
Pa6 Pa 0.30742 0.14575 0.23800 1.00000
Pa7 Pa 0.69258 0.85425 0.76200 1.00000
Pa8 Pa 0.80739 0.35425 0.73802 1.00000
Pa9 Pa 0.76217 0.83695 0.42380 1.00000
Pa10 Pa 0.73785 0.33696 0.07618 1.00000
Pa11 Pa 0.78840 0.85952 0.07136 1.00000
Pa12 Pa 0.71166 0.35952 0.42860 1.00000
Os1 Os 0.26430 0.90225 0.10100 1.00000
Os2 Os 0.23567 0.40225 0.39902 1.00000
Os3 Os 0.76433 0.59775 0.60098 1.00000
Os4 Os 0.73570 0.09775 0.89900 1.00000
Pt1 Pt 0.21977 0.91173 0.72579 1.00000
Pt2 Pt 0.28028 0.41175 0.77418 1.00000
Pt3 Pt 0.27098 0.91344 0.41227 1.00000
Pt4 Pt 0.22908 0.41345 0.08769 1.00000
Pt5 Pt 0.77092 0.58655 0.91231 1.00000
Pt6 Pt 0.72902 0.08656 0.58773 1.00000
Pt7 Pt 0.71972 0.58825 0.22582 1.00000
Pt8 Pt 0.78023 0.08827 0.27421 1.00000
