Y12ErC7
Alexandria ALEXAlex-ID: agm005805324 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB7C12_30_spg148
YErC Er3C4 Y2C
2023-07-15 14:42:58.135127
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005805324).
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 agm005805324
data_agm005805324
_cell_length_a 8.13831
_cell_length_b 8.13831
_cell_length_c 8.13831
_cell_angle_alpha 107.67784
_cell_angle_beta 107.67783
_cell_angle_gamma 107.67784
_cell_volume 440.33473
_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 0.92969 0.30909 0.78649 1.00000
Y2 Y 0.69091 0.21351 0.07031 1.00000
Y3 Y 0.44192 0.15884 0.37371 1.00000
Y4 Y 0.84116 0.62629 0.55808 1.00000
Y5 Y 0.21351 0.07031 0.69091 1.00000
Y6 Y 0.62629 0.55808 0.84116 1.00000
Y7 Y 0.37371 0.44192 0.15884 1.00000
Y8 Y 0.78649 0.92969 0.30909 1.00000
Y9 Y 0.15884 0.37371 0.44192 1.00000
Y10 Y 0.55808 0.84116 0.62629 1.00000
Y11 Y 0.30909 0.78649 0.92969 1.00000
Y12 Y 0.07031 0.69091 0.21351 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
C1 C 0.95984 0.64768 0.88479 1.00000
C2 C 0.35232 0.11521 0.04016 1.00000
C3 C 0.11521 0.04016 0.35232 1.00000
C4 C 0.50000 0.50000 0.50000 1.00000
C5 C 0.88479 0.95984 0.64768 1.00000
C6 C 0.64768 0.88479 0.95984 1.00000
C7 C 0.04016 0.35232 0.11521 1.00000
获取直接链接