NaNd2WO6
Alexandria ALEXAlex-ID: agm002365622 · 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
ABC2D6_17_spg2
Nd3WO7 Nd2WO6 Na4WO5 W
2019-02-16 15:25:05
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002365622).
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 agm002365622
data_agm002365622
_cell_length_a 5.94822
_cell_length_b 5.88517
_cell_length_c 5.88316
_cell_angle_alpha 59.02126
_cell_angle_beta 92.60775
_cell_angle_gamma 121.69983
_cell_volume 142.90548
_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 0.50000 0.00000 0.50000 1.00000
Nd1 Nd 0.79175 0.54060 0.74860 1.00000
Nd2 Nd 0.20825 0.45940 0.25140 1.00000
O1 O 0.15146 0.99318 0.32087 1.00000
O2 O 0.34652 0.13852 0.79159 1.00000
O3 O 0.65348 0.86148 0.20841 1.00000
O4 O 0.84854 0.00682 0.67913 1.00000
O5 O 0.15122 0.47214 0.84169 1.00000
O6 O 0.84878 0.52786 0.15831 1.00000
W1 W 0.00000 0.00000 0.00000 1.00000
获取直接链接