Tm5OsAu2
Alexandria ALEXAlex-ID: agm042804401 · 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
AB2C5_36_spg62
Tm5OsAu2
2024-10-15 19:08:36.549400
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm042804401).
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 agm042804401
data_agm042804401
_cell_length_a 7.31503
_cell_length_b 9.14621
_cell_length_c 11.59116
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 775.50356
_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
Tm1 Tm 0.03993 0.25000 0.99278 1.00000
Tm2 Tm 0.96007 0.75000 0.00722 1.00000
Tm3 Tm 0.53993 0.75000 0.50722 1.00000
Tm4 Tm 0.46007 0.25000 0.49278 1.00000
Tm5 Tm 0.32479 0.97256 0.08453 1.00000
Tm6 Tm 0.67521 0.02744 0.91547 1.00000
Tm7 Tm 0.82479 0.02744 0.41547 1.00000
Tm8 Tm 0.67521 0.47256 0.91547 1.00000
Tm9 Tm 0.17521 0.97256 0.58453 1.00000
Tm10 Tm 0.32479 0.52744 0.08453 1.00000
Tm11 Tm 0.17521 0.52744 0.58453 1.00000
Tm12 Tm 0.82479 0.47256 0.41547 1.00000
Tm13 Tm 0.16073 0.25000 0.27199 1.00000
Tm14 Tm 0.83927 0.75000 0.72801 1.00000
Tm15 Tm 0.66073 0.75000 0.22801 1.00000
Tm16 Tm 0.33927 0.25000 0.77199 1.00000
Tm17 Tm 0.64322 0.25000 0.18895 1.00000
Tm18 Tm 0.35678 0.75000 0.81105 1.00000
Tm19 Tm 0.14322 0.75000 0.31105 1.00000
Tm20 Tm 0.85678 0.25000 0.68895 1.00000
Os1 Os 0.43004 0.25000 0.00040 1.00000
Os2 Os 0.56996 0.75000 0.99960 1.00000
Os3 Os 0.93004 0.75000 0.49960 1.00000
Os4 Os 0.06996 0.25000 0.50040 1.00000
Au1 Au 0.42874 0.50648 0.33841 1.00000
Au2 Au 0.57126 0.49352 0.66159 1.00000
Au3 Au 0.92874 0.49352 0.16159 1.00000
Au4 Au 0.57126 0.00648 0.66159 1.00000
Au5 Au 0.07126 0.50648 0.83841 1.00000
Au6 Au 0.42874 0.99352 0.33841 1.00000
Au7 Au 0.07126 0.99352 0.83841 1.00000
Au8 Au 0.92874 0.00648 0.16159 1.00000
