NaO8
Alexandria ALEXAlex-ID: agm005260897 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB8_54_spg14
NaO8
2023-05-04 23:03:17.904385
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005260897).
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 agm005260897
data_agm005260897
_cell_length_a 14.56789
_cell_length_b 6.07732
_cell_length_c 7.80653
_cell_angle_alpha 56.51969
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 576.46397
_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 0.82732 0.49226 0.18494 1.00000
Na2 Na 0.32732 0.50774 0.31506 1.00000
Na3 Na 0.17268 0.50774 0.81506 1.00000
Na4 Na 0.67268 0.49226 0.68494 1.00000
O1 O 0.59302 0.97413 0.40487 1.00000
O2 O 0.09302 0.02587 0.09513 1.00000
O3 O 0.40698 0.02587 0.59513 1.00000
O4 O 0.90698 0.97413 0.90487 1.00000
O5 O 0.67938 0.88303 0.82287 1.00000
O6 O 0.17938 0.11697 0.67713 1.00000
O7 O 0.32062 0.11697 0.17713 1.00000
O8 O 0.82062 0.88303 0.32287 1.00000
O9 O 0.71179 0.63551 0.91366 1.00000
O10 O 0.21179 0.36449 0.58634 1.00000
O11 O 0.28821 0.36449 0.08634 1.00000
O12 O 0.78821 0.63551 0.41366 1.00000
O13 O 0.57780 0.39259 0.47844 1.00000
O14 O 0.07780 0.60741 0.02156 1.00000
O15 O 0.42220 0.60741 0.52156 1.00000
O16 O 0.92220 0.39259 0.97844 1.00000
O17 O 0.56979 0.56887 0.27891 1.00000
O18 O 0.06979 0.43113 0.22109 1.00000
O19 O 0.43021 0.43113 0.72109 1.00000
O20 O 0.93021 0.56887 0.77891 1.00000
O21 O 0.48965 0.58261 0.19866 1.00000
O22 O 0.98965 0.41739 0.30134 1.00000
O23 O 0.51035 0.41739 0.80134 1.00000
O24 O 0.01035 0.58261 0.69866 1.00000
O25 O 0.70750 0.01056 0.90583 1.00000
O26 O 0.20750 0.98944 0.59417 1.00000
O27 O 0.29250 0.98944 0.09417 1.00000
O28 O 0.79250 0.01056 0.40583 1.00000
O29 O 0.58070 0.09853 0.21781 1.00000
O30 O 0.08070 0.90147 0.28219 1.00000
O31 O 0.41930 0.90147 0.78219 1.00000
O32 O 0.91930 0.09853 0.71781 1.00000
