Th3OsPt2
Alexandria ALEXAlex-ID: agm005642394 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_35_spg14
Th4OsPt3 Th2OsPt
2023-08-24 03:07:47.569957
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005642394).
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 agm005642394
data_agm005642394
_cell_length_a 5.88995
_cell_length_b 8.39953
_cell_length_c 12.39136
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 89.99022
_cell_volume 613.03516
_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
Th1 Th 0.24984 0.61194 0.57933 1.00000
Th2 Th 0.24984 0.11194 0.92067 1.00000
Th3 Th 0.25027 0.63998 0.92342 1.00000
Th4 Th 0.25027 0.13998 0.57658 1.00000
Th5 Th 0.24975 0.62417 0.24870 1.00000
Th6 Th 0.24975 0.12417 0.25130 1.00000
Th7 Th 0.75025 0.87583 0.74870 1.00000
Th8 Th 0.75025 0.37583 0.75130 1.00000
Th9 Th 0.74973 0.86002 0.42342 1.00000
Th10 Th 0.74973 0.36002 0.07658 1.00000
Th11 Th 0.75016 0.88806 0.07933 1.00000
Th12 Th 0.75016 0.38806 0.42067 1.00000
Os1 Os 0.25012 0.87337 0.08893 1.00000
Os2 Os 0.25012 0.37337 0.41107 1.00000
Os3 Os 0.74988 0.62663 0.58893 1.00000
Os4 Os 0.74988 0.12663 0.91107 1.00000
Pt1 Pt 0.25022 0.87566 0.74241 1.00000
Pt2 Pt 0.25022 0.37566 0.75759 1.00000
Pt3 Pt 0.24975 0.87489 0.41883 1.00000
Pt4 Pt 0.24975 0.37489 0.08117 1.00000
Pt5 Pt 0.75025 0.62511 0.91883 1.00000
Pt6 Pt 0.75025 0.12511 0.58117 1.00000
Pt7 Pt 0.74978 0.62434 0.24241 1.00000
Pt8 Pt 0.74978 0.12434 0.25759 1.00000
