Na2Np3O8
Alexandria ALEXAlex-ID: agm005645065 · 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
A2B3C8_40_spg12
Na2NpO4 NpO2
2023-06-16 04:18:33.917898
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005645065).
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 agm005645065
data_agm005645065
_cell_length_a 5.94219
_cell_length_b 6.53968
_cell_length_c 6.53968
_cell_angle_alpha 63.61705
_cell_angle_beta 76.75847
_cell_angle_gamma 76.75846
_cell_volume 219.23681
_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
Na1 Na 0.39661 0.69668 0.69668 1.00000
Na2 Na 0.60339 0.30332 0.30332 1.00000
Np1 Np 0.50000 0.00000 0.00000 1.00000
Np2 Np 0.00000 0.74455 0.25545 1.00000
Np3 Np 1.00000 0.25545 0.74455 1.00000
O1 O 0.92153 0.40060 0.40060 1.00000
O2 O 0.07847 0.59940 0.59940 1.00000
O3 O 0.88497 0.90562 0.90562 1.00000
O4 O 0.11503 0.09438 0.09438 1.00000
O5 O 0.63358 0.31785 0.88448 1.00000
O6 O 0.63358 0.88448 0.31785 1.00000
O7 O 0.36642 0.11552 0.68215 1.00000
O8 O 0.36642 0.68215 0.11552 1.00000
获取直接链接