Th3CoOs2
Alexandria ALEXAlex-ID: agm005753064 · 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_315_spg62
Th5Os3 Th2CoOs ThOs2
2023-08-17 12:02:18.299172
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753064).
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 agm005753064
data_agm005753064
_cell_length_a 3.96179
_cell_length_b 11.87069
_cell_length_c 11.70249
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 550.35792
_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 0.25000 0.37636 0.05431 1.00000
Th2 Th 0.75000 0.62364 0.94569 1.00000
Th3 Th 0.75000 0.87636 0.44569 1.00000
Th4 Th 0.25000 0.12364 0.55431 1.00000
Th5 Th 0.25000 0.69328 0.21139 1.00000
Th6 Th 0.75000 0.30672 0.78861 1.00000
Th7 Th 0.75000 0.19328 0.28861 1.00000
Th8 Th 0.25000 0.80672 0.71139 1.00000
Th9 Th 0.25000 0.44269 0.37408 1.00000
Th10 Th 0.75000 0.55731 0.62592 1.00000
Th11 Th 0.75000 0.94269 0.12592 1.00000
Th12 Th 0.25000 0.05731 0.87408 1.00000
Co1 Co 0.25000 0.13075 0.12148 1.00000
Co2 Co 0.75000 0.86925 0.87852 1.00000
Co3 Co 0.75000 0.63075 0.37852 1.00000
Co4 Co 0.25000 0.36925 0.62148 1.00000
Os1 Os 0.25000 0.69029 0.48834 1.00000
Os2 Os 0.75000 0.30971 0.51166 1.00000
Os3 Os 0.75000 0.19029 0.01166 1.00000
Os4 Os 0.25000 0.80971 0.98834 1.00000
Os5 Os 0.25000 0.00864 0.31896 1.00000
Os6 Os 0.75000 0.99136 0.68104 1.00000
Os7 Os 0.75000 0.50864 0.18104 1.00000
Os8 Os 0.25000 0.49136 0.81896 1.00000
