Np(AsO3)2
Alexandria ALEXAlex-ID: agm016622752 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_310_spg2
NpO3 As2O3
2025-01-30 13:26:31
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm016622752).
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 agm016622752
data_agm016622752
_cell_length_a 5.35931
_cell_length_b 5.21576
_cell_length_c 6.60103
_cell_angle_alpha 100.17291
_cell_angle_beta 119.70232
_cell_angle_gamma 86.07767
_cell_volume 157.71500
_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
Np1 Np 0.00000 0.00000 0.00000 1.00000
As1 As 0.40061 0.50443 0.75117 1.00000
As2 As 0.59939 0.49557 0.24883 1.00000
O1 O 0.98278 0.10307 0.74700 1.00000
O2 O 0.35837 0.28374 0.24298 1.00000
O3 O 0.01722 0.89693 0.25300 1.00000
O4 O 0.65817 0.31687 0.99643 1.00000
O5 O 0.64163 0.71626 0.75702 1.00000
O6 O 0.34183 0.68313 0.00357 1.00000
获取直接链接