Y8C4O3
Alexandria ALEXAlex-ID: agm005698532 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C8_5_spg12
Y4C2O Y2CO
2023-06-29 17:57:36.560386
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698532).
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 agm005698532
data_agm005698532
_cell_length_a 7.09028
_cell_length_b 7.08298
_cell_length_c 7.08298
_cell_angle_alpha 90.36085
_cell_angle_beta 119.92953
_cell_angle_gamma 119.92954
_cell_volume 251.26131
_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 0.48160 0.23575 0.23575 1.00000
Y2 Y 0.00000 0.75682 0.24318 1.00000
Y3 Y 0.00024 0.24626 0.24626 1.00000
Y4 Y 0.50000 0.75368 0.24632 1.00000
Y5 Y 0.50000 0.24632 0.75368 1.00000
Y6 Y 0.99976 0.75374 0.75374 1.00000
Y7 Y 1.00000 0.24318 0.75682 1.00000
Y8 Y 0.51840 0.76425 0.76425 1.00000
C1 C 0.50000 0.00000 0.00000 1.00000
C2 C 0.00000 0.50000 0.00000 1.00000
C3 C 0.00000 0.00000 0.00000 1.00000
C4 C 0.00000 0.00000 0.50000 1.00000
O1 O 0.50000 0.50000 0.00000 1.00000
O2 O 0.50000 0.00000 0.50000 1.00000
O3 O 0.50000 0.50000 0.50000 1.00000
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