Ce3Ta3(B2Os5)2
Alexandria ALEXAlex-ID: agm009732007 · 空间群: Amm2 (#38)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B3C4D10_0_spg38
Ta3B2Os5 Ce(BOs)2 Ta7(B4Os3)2 CeOs2
2024-12-20 21:03:30
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009732007).
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 agm009732007
data_agm009732007
_cell_length_a 9.80330
_cell_length_b 9.80330
_cell_length_c 3.08980
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.53084
_cell_volume 296.93106
_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
Ce1 Ce 0.17607 0.17607 0.50000 1.00000
Ce2 Ce 0.67887 0.32311 0.50000 1.00000
Ce3 Ce 0.32311 0.67887 0.50000 1.00000
Ta1 Ta 0.00004 0.50070 0.50000 1.00000
Ta2 Ta 0.50070 0.00004 0.50000 1.00000
Ta3 Ta 0.82187 0.82187 0.50000 1.00000
B1 B 0.62441 0.62441 0.50000 1.00000
B2 B 0.38269 0.38269 0.50000 1.00000
B3 B 0.87862 0.11655 0.50000 1.00000
B4 B 0.11655 0.87862 0.50000 1.00000
Os1 Os 0.50496 0.50496 0.00000 1.00000
Os2 Os 0.98895 0.98895 0.00000 1.00000
Os3 Os 0.78645 0.58310 0.00000 1.00000
Os4 Os 0.22204 0.43299 0.00000 1.00000
Os5 Os 0.72050 0.05989 0.00000 1.00000
Os6 Os 0.27617 0.93160 0.00000 1.00000
Os7 Os 0.93160 0.27617 0.00000 1.00000
Os8 Os 0.05989 0.72050 0.00000 1.00000
Os9 Os 0.43299 0.22204 0.00000 1.00000
Os10 Os 0.58310 0.78645 0.00000 1.00000
获取直接链接