Li(Y3C4)2
Alexandria ALEXAlex-ID: agm072809048 · 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_613_spg2
Y4C7 Y4C5 Li
2024-10-06 17:52:53.936991
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072809048).
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 agm072809048
data_agm072809048
_cell_length_a 5.86831
_cell_length_b 6.42616
_cell_length_c 7.57462
_cell_angle_alpha 62.05010
_cell_angle_beta 108.01772
_cell_angle_gamma 106.67681
_cell_volume 236.49917
_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
Li1 Li 0.50000 0.00000 0.00000 1.00000
Y1 Y 0.27728 0.87616 0.64854 1.00000
Y2 Y 0.73657 0.56224 0.83543 1.00000
Y3 Y 0.00756 0.21530 0.76180 1.00000
Y4 Y 0.72272 0.12384 0.35146 1.00000
Y5 Y 0.26343 0.43776 0.16457 1.00000
Y6 Y 0.99244 0.78470 0.23820 1.00000
C1 C 0.10541 0.79643 0.94140 1.00000
C2 C 0.89459 0.20357 0.05860 1.00000
C3 C 0.30395 0.52784 0.56467 1.00000
C4 C 0.68228 0.70578 0.41847 1.00000
C5 C 0.52205 0.26526 0.52462 1.00000
C6 C 0.69605 0.47216 0.43533 1.00000
C7 C 0.31772 0.29422 0.58153 1.00000
C8 C 0.47795 0.73474 0.47538 1.00000
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