NbSbO3
Alexandria ALEXAlex-ID: agm003725317 · 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
ABC3_6662_spg12
Nb2O5 NbSbO4 Sb
2022-04-16 10:30:31.432466
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003725317).
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 agm003725317
data_agm003725317
_cell_length_a 3.92460
_cell_length_b 5.40984
_cell_length_c 10.31085
_cell_angle_alpha 63.84472
_cell_angle_beta 79.02890
_cell_angle_gamma 68.73220
_cell_volume 182.99435
_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
Nb1 Nb 0.12811 0.65957 0.08421 1.00000
Nb2 Nb 0.87189 0.34043 0.91579 1.00000
Sb1 Sb 0.32729 0.93218 0.41324 1.00000
Sb2 Sb 0.67271 0.06782 0.58676 1.00000
O1 O 0.81016 0.64977 0.72991 1.00000
O2 O 0.18984 0.35023 0.27009 1.00000
O3 O 0.67131 0.61060 0.04678 1.00000
O4 O 0.32869 0.38940 0.95322 1.00000
O5 O 0.94504 0.97862 0.13130 1.00000
O6 O 0.05496 0.02138 0.86870 1.00000
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