NaYb2WO6
Alexandria ALEXAlex-ID: agm002365632 · 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
Yb3O4 Na2WO4 YbWO4
2019-02-16 15:11:36
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002365632).
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
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# CIF generated by HEAS from Alexandria entry agm002365632
data_agm002365632
_cell_length_a 5.86623
_cell_length_b 5.73074
_cell_length_c 5.71912
_cell_angle_alpha 60.09254
_cell_angle_beta 92.38457
_cell_angle_gamma 122.05554
_cell_volume 134.58516
_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
Yb1 Yb 0.79894 0.54707 0.74443 1.00000
Yb2 Yb 0.20106 0.45293 0.25557 1.00000
O1 O 0.14293 0.98864 0.31537 1.00000
O2 O 0.35591 0.15048 0.78907 1.00000
O3 O 0.64409 0.84952 0.21093 1.00000
O4 O 0.85707 0.01136 0.68463 1.00000
O5 O 0.13985 0.45639 0.84699 1.00000
O6 O 0.86015 0.54361 0.15301 1.00000
W1 W 0.00000 0.00000 0.00000 1.00000
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