Yb4Si7
Alexandria ALEXAlex-ID: agm006209674 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B7_41_spg11
Yb4Si7
2023-12-14 16:48:30.504304
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006209674).
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 agm006209674
data_agm006209674
_cell_length_a 7.96941
_cell_length_b 6.70189
_cell_length_c 8.34435
_cell_angle_alpha 84.89675
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 443.90614
_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
Si1 Si 0.75000 0.54985 0.64706 1.00000
Si2 Si 0.25000 0.19925 0.57685 1.00000
Si3 Si 0.25000 0.45015 0.35294 1.00000
Si4 Si 0.75000 0.35318 0.08903 1.00000
Si5 Si 0.25000 0.35325 0.08905 1.00000
Si6 Si 0.75000 0.64675 0.91095 1.00000
Si7 Si 0.25000 0.64682 0.91097 1.00000
Si8 Si 0.75000 0.80075 0.42315 1.00000
Si9 Si 0.25000 0.54988 0.64708 1.00000
Si10 Si 0.75000 0.45012 0.35292 1.00000
Si11 Si 0.75000 0.19924 0.57685 1.00000
Si12 Si 0.75000 0.99996 0.99992 1.00000
Si13 Si 0.25000 0.00004 0.00008 1.00000
Si14 Si 0.25000 0.80076 0.42315 1.00000
Yb1 Yb 0.00000 0.13363 0.30532 1.00000
Yb2 Yb 0.00001 0.30679 0.83754 1.00000
Yb3 Yb 0.99999 0.69321 0.16246 1.00000
Yb4 Yb 1.00000 0.86637 0.69468 1.00000
Yb5 Yb 0.50000 0.13363 0.30532 1.00000
Yb6 Yb 0.49999 0.30679 0.83754 1.00000
Yb7 Yb 0.50001 0.69321 0.16246 1.00000
Yb8 Yb 0.50000 0.86637 0.69468 1.00000
