Zn3Si9B36C
Alexandria ALEXAlex-ID: agm008969924 · 空间群: R3m (#160)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C9D36_1_spg160
B13C2 SiB3 B Zn
2025-02-26 17:36:04
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008969924).
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 agm008969924
data_agm008969924
_cell_length_a 8.10766
_cell_length_b 8.10766
_cell_length_c 8.10766
_cell_angle_alpha 77.52326
_cell_angle_beta 77.52326
_cell_angle_gamma 77.52326
_cell_volume 499.99262
_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
Zn1 Zn 0.42165 0.79127 0.42165 1.00000
Zn2 Zn 0.42165 0.42165 0.79127 1.00000
Zn3 Zn 0.79127 0.42165 0.42165 1.00000
Si1 Si 0.60641 0.60641 0.60641 1.00000
Si2 Si 0.43787 0.43787 0.43787 1.00000
Si3 Si 0.34289 0.76107 0.76107 1.00000
Si4 Si 0.76107 0.34289 0.76107 1.00000
Si5 Si 0.76107 0.76107 0.34289 1.00000
Si6 Si 0.66003 0.26371 0.26371 1.00000
Si7 Si 0.26371 0.66003 0.26371 1.00000
Si8 Si 0.26371 0.26371 0.66003 1.00000
Si9 Si 0.96453 0.96453 0.96453 1.00000
B1 B 0.00033 0.00033 0.71167 1.00000
B2 B 0.71167 0.00033 0.00033 1.00000
B3 B 0.00033 0.71167 0.00033 1.00000
B4 B 0.02658 0.02658 0.28451 1.00000
B5 B 0.28451 0.02658 0.02658 1.00000
B6 B 0.02658 0.28451 0.02658 1.00000
B7 B 0.80769 0.98823 0.63385 1.00000
B8 B 0.63385 0.80769 0.98823 1.00000
B9 B 0.98823 0.63385 0.80769 1.00000
B10 B 0.80769 0.63385 0.98823 1.00000
B11 B 0.98823 0.80769 0.63385 1.00000
B12 B 0.63385 0.98823 0.80769 1.00000
B13 B 0.20775 0.03178 0.37793 1.00000
B14 B 0.37793 0.20775 0.03178 1.00000
B15 B 0.03178 0.37793 0.20775 1.00000
B16 B 0.20775 0.37793 0.03178 1.00000
B17 B 0.03178 0.20775 0.37793 1.00000
B18 B 0.37793 0.03178 0.20775 1.00000
B19 B 0.90140 0.18223 0.58779 1.00000
B20 B 0.58779 0.90140 0.18223 1.00000
B21 B 0.18223 0.58779 0.90140 1.00000
B22 B 0.90140 0.58779 0.18223 1.00000
B23 B 0.18223 0.90140 0.58779 1.00000
B24 B 0.58779 0.18223 0.90140 1.00000
B25 B 0.11450 0.83195 0.41738 1.00000
B26 B 0.41738 0.11450 0.83195 1.00000
B27 B 0.83195 0.41738 0.11450 1.00000
B28 B 0.11450 0.41738 0.83195 1.00000
B29 B 0.83195 0.11450 0.41738 1.00000
B30 B 0.41738 0.83195 0.11450 1.00000
B31 B 0.13232 0.13232 0.56010 1.00000
B32 B 0.56010 0.13232 0.13232 1.00000
B33 B 0.13232 0.56010 0.13232 1.00000
B34 B 0.88883 0.88883 0.44554 1.00000
B35 B 0.44554 0.88883 0.88883 1.00000
B36 B 0.88883 0.44554 0.88883 1.00000
C1 C 0.07482 0.07482 0.07482 1.00000
