Na2Nb2W2O13
Alexandria ALEXAlex-ID: agm005526257 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C2D13_5_spg44
NaNb3O8 Na2W4O13 NaO4 NaNbO3
2023-08-16 09:12:25
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005526257).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005526257
data_agm005526257
_cell_length_a 7.40655
_cell_length_b 7.41522
_cell_length_c 7.40655
_cell_angle_alpha 117.92629
_cell_angle_beta 119.29930
_cell_angle_gamma 92.39069
_cell_volume 293.41982
_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 0.16080 0.42698 0.79452 1.00000
Na2 Na 0.63246 0.42698 0.26618 1.00000
Nb1 Nb 0.10824 0.37747 0.26923 1.00000
Nb2 Nb 0.12995 0.90474 0.77479 1.00000
W1 W 0.61411 0.85891 0.73981 1.00000
W2 W 0.11910 0.85891 0.24480 1.00000
O1 O 0.43002 0.91726 0.85819 1.00000
O2 O 0.43154 0.55523 0.49571 1.00000
O3 O 0.42566 0.91752 0.49186 1.00000
O4 O 0.05952 0.55523 0.12368 1.00000
O5 O 0.05907 0.91726 0.48724 1.00000
O6 O 0.03958 0.53423 0.49465 1.00000
O7 O 0.80589 0.80482 0.62950 1.00000
O8 O 0.80441 0.15977 0.98659 1.00000
O9 O 0.79995 0.79190 0.99195 1.00000
O10 O 0.17318 0.15977 0.35535 1.00000
O11 O 0.17532 0.80482 0.99893 1.00000
O12 O 0.20294 0.19955 0.99662 1.00000
O13 O 0.57827 0.57866 0.00039 1.00000
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