Y4C7
Alexandria ALEXAlex-ID: agm005228743 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B7_365_spg14
Y4C7
2024-10-04 01:53:36
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005228743).
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 agm005228743
data_agm005228743
_cell_length_a 12.63798
_cell_length_b 3.71876
_cell_length_c 13.83979
_cell_angle_alpha 81.24775
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 642.86230
_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
Y1 Y 0.51542 0.30061 0.39234 1.00000
Y2 Y 0.98458 0.30061 0.89234 1.00000
Y3 Y 0.48458 0.69939 0.60766 1.00000
Y4 Y 0.01542 0.69939 0.10766 1.00000
Y5 Y 0.53954 0.12497 0.11779 1.00000
Y6 Y 0.96046 0.12497 0.61779 1.00000
Y7 Y 0.46046 0.87503 0.88221 1.00000
Y8 Y 0.03954 0.87503 0.38221 1.00000
Y9 Y 0.30486 0.86804 0.28958 1.00000
Y10 Y 0.19514 0.86804 0.78958 1.00000
Y11 Y 0.69514 0.13196 0.71042 1.00000
Y12 Y 0.80486 0.13196 0.21042 1.00000
Y13 Y 0.26270 0.26371 0.50688 1.00000
Y14 Y 0.23730 0.26371 0.00688 1.00000
Y15 Y 0.73730 0.73629 0.49312 1.00000
Y16 Y 0.76270 0.73629 0.99312 1.00000
C1 C 0.14083 0.16740 0.17482 1.00000
C2 C 0.35917 0.16740 0.67482 1.00000
C3 C 0.85917 0.83260 0.82518 1.00000
C4 C 0.64083 0.83260 0.32518 1.00000
C5 C 0.38967 0.75460 0.04822 1.00000
C6 C 0.11033 0.75460 0.54822 1.00000
C7 C 0.61033 0.24540 0.95178 1.00000
C8 C 0.88967 0.24540 0.45178 1.00000
C9 C 0.41712 0.41072 0.22892 1.00000
C10 C 0.08288 0.41072 0.72892 1.00000
C11 C 0.58288 0.58928 0.77108 1.00000
C12 C 0.91712 0.58928 0.27108 1.00000
C13 C 0.17153 0.37456 0.34753 1.00000
C14 C 0.32847 0.37456 0.84753 1.00000
C15 C 0.82847 0.62544 0.65247 1.00000
C16 C 0.67153 0.62544 0.15247 1.00000
C17 C 0.39605 0.58573 0.13971 1.00000
C18 C 0.10395 0.58573 0.63971 1.00000
C19 C 0.60395 0.41427 0.86029 1.00000
C20 C 0.89605 0.41427 0.36029 1.00000
C21 C 0.15162 0.30287 0.25651 1.00000
C22 C 0.34838 0.30287 0.75651 1.00000
C23 C 0.84838 0.69713 0.74349 1.00000
C24 C 0.65162 0.69713 0.24349 1.00000
C25 C 0.61651 0.20833 0.55010 1.00000
C26 C 0.88349 0.20833 0.05010 1.00000
C27 C 0.38349 0.79167 0.44990 1.00000
C28 C 0.11651 0.79167 0.94990 1.00000
