La3Co2CuO9
Alexandria ALEXAlex-ID: agm003239077 · 空间群: P-3c1 (#165)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D9_11_spg165
LaO2 LaCuO3 La3CoO6 Co3O4
2021-12-16 05:38:27.284382
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003239077).
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 agm003239077
data_agm003239077
_cell_length_a 5.52367
_cell_length_b 13.10509
_cell_length_c 5.52367
_cell_angle_alpha 90.00000
_cell_angle_beta 60.00001
_cell_angle_gamma 90.00000
_cell_volume 346.27889
_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
La1 La 0.66667 0.58469 0.66667 1.00000
La2 La 0.00000 0.25000 0.00000 1.00000
La3 La 0.33333 0.91531 0.33333 1.00000
La4 La 0.66667 0.08469 0.66667 1.00000
La5 La 0.00000 0.75000 0.00000 1.00000
La6 La 0.33333 0.41531 0.33333 1.00000
Co1 Co 0.66667 0.83357 0.66667 1.00000
Co2 Co 0.33333 0.16643 0.33333 1.00000
Co3 Co 0.66667 0.33357 0.66667 1.00000
Co4 Co 0.33333 0.66643 0.33333 1.00000
Cu1 Cu 0.00000 0.50000 0.00000 1.00000
Cu2 Cu 0.00000 0.00000 0.00000 1.00000
O1 O 0.34174 0.41448 0.89445 1.00000
O2 O 0.00000 0.75000 0.56236 1.00000
O3 O 0.65826 0.08552 0.23619 1.00000
O4 O 0.76381 0.41448 0.34174 1.00000
O5 O 0.43764 0.75000 0.00000 1.00000
O6 O 0.10555 0.08552 0.65826 1.00000
O7 O 0.89445 0.41448 0.76381 1.00000
O8 O 0.56236 0.75000 0.43764 1.00000
O9 O 0.23619 0.08552 0.10555 1.00000
O10 O 0.23619 0.58552 0.65826 1.00000
O11 O 0.89445 0.91448 0.34174 1.00000
O12 O 0.56236 0.25000 1.00000 1.00000
O13 O 0.10555 0.58552 0.23619 1.00000
O14 O 0.76381 0.91448 0.89445 1.00000
O15 O 0.43764 0.25000 0.56236 1.00000
O16 O 0.65826 0.58552 0.10555 1.00000
O17 O 0.34174 0.91448 0.76381 1.00000
O18 O 0.00000 0.25000 0.43764 1.00000
