UZnPtO6
Alexandria ALEXAlex-ID: agm005075643 · 空间群: P-31c (#163)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD6_10_spg163
Zn2PtO4 UO3 PtO2
2022-08-10 00:02:24.831537
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005075643).
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 agm005075643
data_agm005075643
_cell_length_a 5.26764
_cell_length_b 5.26764
_cell_length_c 9.36037
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 224.93416
_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
U1 U 0.66667 0.33333 0.25000 1.00000
U2 U 0.33333 0.66667 0.75000 1.00000
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
Zn2 Zn 0.00000 0.00000 0.50000 1.00000
Pt1 Pt 0.33333 0.66667 0.25000 1.00000
Pt2 Pt 0.66667 0.33333 0.75000 1.00000
O1 O 0.65755 0.66592 0.12930 1.00000
O2 O 0.00837 0.34245 0.12930 1.00000
O3 O 0.34245 0.00837 0.62930 1.00000
O4 O 0.99163 0.65755 0.87070 1.00000
O5 O 0.33408 0.34245 0.37070 1.00000
O6 O 0.00837 0.66592 0.37070 1.00000
O7 O 0.66592 0.00837 0.87070 1.00000
O8 O 0.65755 0.99163 0.37070 1.00000
O9 O 0.99163 0.33408 0.62930 1.00000
O10 O 0.33408 0.99163 0.12930 1.00000
O11 O 0.66592 0.65755 0.62930 1.00000
O12 O 0.34245 0.33408 0.87070 1.00000
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