Zn2TeWO6
Alexandria ALEXAlex-ID: agm005284295 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_2106_spg1
ZnWO4 Zn2Te3O8 ZnO Te
2023-04-21 11:35:12.076209
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005284295).
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 agm005284295
data_agm005284295
_cell_length_a 5.19290
_cell_length_b 5.64328
_cell_length_c 6.66227
_cell_angle_alpha 113.57782
_cell_angle_beta 66.43140
_cell_angle_gamma 112.25248
_cell_volume 158.35373
_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
Zn1 Zn 0.33151 0.62058 0.00561 1.00000
Zn2 Zn 0.54943 0.33853 0.20637 1.00000
Te1 Te 0.70266 0.87157 0.42653 1.00000
W1 W 0.99159 0.98759 0.91339 1.00000
O1 O 0.60838 0.99970 0.22693 1.00000
O2 O 0.29967 0.92668 0.65073 1.00000
O3 O 0.04205 0.81098 0.09427 1.00000
O4 O 0.23586 0.31145 0.10354 1.00000
O5 O 0.70827 0.70404 0.78313 1.00000
O6 O 0.87191 0.25250 0.90622 1.00000
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