Lu2Cu2O5
Alexandria ALEXAlex-ID: agm006220175 · 空间群: Pna2_1 (#33)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_12_spg33
Lu2O3 CuO
2024-03-18 13:27:31.597340
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006220175).
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 agm006220175
data_agm006220175
_cell_length_a 3.41805
_cell_length_b 10.76900
_cell_length_c 12.36355
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 455.08989
_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
Lu1 Lu 0.27612 0.54221 0.83048 1.00000
Lu2 Lu 0.72388 0.45779 0.33048 1.00000
Lu3 Lu 0.22388 0.04221 0.83048 1.00000
Lu4 Lu 0.77612 0.95779 0.33048 1.00000
Lu5 Lu 0.27658 0.70797 0.50244 1.00000
Lu6 Lu 0.72342 0.29203 0.00244 1.00000
Lu7 Lu 0.22342 0.20797 0.50244 1.00000
Lu8 Lu 0.77658 0.79203 0.00244 1.00000
Cu1 Cu 0.84412 0.76147 0.72009 1.00000
Cu2 Cu 0.15588 0.23853 0.22009 1.00000
Cu3 Cu 0.65588 0.26147 0.72009 1.00000
Cu4 Cu 0.34412 0.73853 0.22009 1.00000
Cu5 Cu 0.83980 0.48905 0.61239 1.00000
Cu6 Cu 0.16020 0.51095 0.11239 1.00000
Cu7 Cu 0.66020 0.98905 0.61239 1.00000
Cu8 Cu 0.33980 0.01095 0.11239 1.00000
O1 O 0.27117 0.92159 0.97159 1.00000
O2 O 0.72883 0.07841 0.47159 1.00000
O3 O 0.22883 0.42159 0.97159 1.00000
O4 O 0.77117 0.57841 0.47159 1.00000
O5 O 0.72388 0.93011 0.76534 1.00000
O6 O 0.27612 0.06989 0.26534 1.00000
O7 O 0.77612 0.43011 0.76534 1.00000
O8 O 0.22388 0.56989 0.26534 1.00000
O9 O 0.17392 0.62482 0.66639 1.00000
O10 O 0.82608 0.37518 0.16639 1.00000
O11 O 0.32608 0.12482 0.66639 1.00000
O12 O 0.67392 0.87518 0.16639 1.00000
O13 O 0.78060 0.82044 0.56678 1.00000
O14 O 0.21940 0.17956 0.06678 1.00000
O15 O 0.71940 0.32044 0.56678 1.00000
O16 O 0.28060 0.67956 0.06678 1.00000
O17 O 0.27615 0.82813 0.36078 1.00000
O18 O 0.72385 0.17187 0.86078 1.00000
O19 O 0.22385 0.32813 0.36078 1.00000
O20 O 0.77615 0.67187 0.86078 1.00000
