Y6UC8
Alexandria ALEXAlex-ID: agm072368045 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_385_spg2
YUC2 Y4C5 Y(UC)2
2024-10-05 13:24:46.551374
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072368045).
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 agm072368045
data_agm072368045
_cell_length_a 6.13267
_cell_length_b 6.27686
_cell_length_c 6.99329
_cell_angle_alpha 88.57867
_cell_angle_beta 104.41450
_cell_angle_gamma 102.49537
_cell_volume 254.42892
_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 0.71029 0.95255 0.40489 1.00000
Y2 Y 0.42557 0.41967 0.23305 1.00000
Y3 Y 0.91449 0.20995 0.87072 1.00000
Y4 Y 0.28971 0.04745 0.59511 1.00000
Y5 Y 0.57443 0.58033 0.76695 1.00000
Y6 Y 0.08551 0.79005 0.12928 1.00000
U1 U 0.00000 0.50000 0.50000 1.00000
C1 C 0.91129 0.30246 0.19790 1.00000
C2 C 0.08871 0.69754 0.80210 1.00000
C3 C 0.67382 0.29672 0.56085 1.00000
C4 C 0.76935 0.42789 0.09310 1.00000
C5 C 0.05500 0.16798 0.28714 1.00000
C6 C 0.32618 0.70328 0.43915 1.00000
C7 C 0.23065 0.57211 0.90690 1.00000
C8 C 0.94500 0.83202 0.71286 1.00000
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