MnNb4ZnCoPtO12
Alexandria ALEXAlex-ID: agm010409227 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCDE4F12_10_spg1
Nb2CoO6 ZnPt MnNb2O6
2024-05-30 22:48:36.356840
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010409227).
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 agm010409227
data_agm010409227
_cell_length_a 5.43912
_cell_length_b 5.53615
_cell_length_c 9.00904
_cell_angle_alpha 74.85911
_cell_angle_beta 95.96377
_cell_angle_gamma 103.75755
_cell_volume 254.09579
_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
Mn1 Mn 0.85262 0.52585 0.34342 1.00000
Nb1 Nb 0.26234 0.05371 0.43674 1.00000
Nb2 Nb 0.78414 0.61321 0.90353 1.00000
Nb3 Nb 0.25860 0.41412 0.09098 1.00000
Nb4 Nb 0.76162 0.87504 0.60163 1.00000
Zn1 Zn 0.34141 0.07082 0.81166 1.00000
Co1 Co 0.66529 0.98868 0.16811 1.00000
Pt1 Pt 0.08299 0.57406 0.62269 1.00000
O1 O 0.73138 0.48172 0.70858 1.00000
O2 O 0.35723 0.08271 0.21452 1.00000
O3 O 0.40815 0.73566 0.50903 1.00000
O4 O 0.90686 0.27034 0.03561 1.00000
O5 O 0.42125 0.34309 0.92470 1.00000
O6 O 0.87845 0.91024 0.36347 1.00000
O7 O 0.61676 0.90466 0.79193 1.00000
O8 O 0.17403 0.40436 0.30120 1.00000
O9 O 0.14121 0.74857 0.96691 1.00000
O10 O 0.61326 0.21264 0.47626 1.00000
O11 O 0.11600 0.14227 0.61541 1.00000
O12 O 0.62640 0.64824 0.11362 1.00000
获取直接链接