Np2AsO
Alexandria ALEXAlex-ID: agm005806448 · 空间群: Cccm (#66)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_1157_spg66
Np2AsO2 NpAs Np
2023-07-13 05:51:00.615907
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005806448).
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 agm005806448
data_agm005806448
_cell_length_a 5.08278
_cell_length_b 5.44742
_cell_length_c 6.44326
_cell_angle_alpha 90.03430
_cell_angle_beta 113.23020
_cell_angle_gamma 89.99993
_cell_volume 163.93763
_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 0.23604 0.12144 0.68272 1.00000
Np2 Np 0.00692 0.62106 0.22448 1.00000
Np3 Np 0.71910 0.62144 0.68272 1.00000
Np4 Np 0.48998 0.12106 0.22448 1.00000
As1 As 0.86301 0.12125 0.95359 1.00000
As2 As 0.36301 0.62125 0.95360 1.00000
O1 O 0.36306 0.87124 0.45360 1.00000
O2 O 0.36295 0.37124 0.45359 1.00000
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