Re3O10
Alexandria ALEXAlex-ID: agm005226038 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B10_15_spg5
Re2O7 ReO3
2023-05-06 14:35:16.342059
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005226038).
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 agm005226038
data_agm005226038
_cell_length_a 5.29546
_cell_length_b 5.29546
_cell_length_c 8.10232
_cell_angle_alpha 76.05948
_cell_angle_beta 76.05948
_cell_angle_gamma 90.12437
_cell_volume 213.57976
_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
Re1 Re 0.50108 0.02604 0.96381 1.00000
Re2 Re 0.97396 0.49892 0.03619 1.00000
Re3 Re 0.84284 0.15716 0.50000 1.00000
O1 O 0.73444 0.76116 0.00629 1.00000
O2 O 0.23884 0.26556 0.99371 1.00000
O3 O 0.73628 0.26372 0.00000 1.00000
O4 O 0.23609 0.76391 0.00000 1.00000
O5 O 0.60744 0.09670 0.71752 1.00000
O6 O 0.90330 0.39256 0.28248 1.00000
O7 O 0.17473 0.12440 0.55378 1.00000
O8 O 0.07949 0.37209 0.58120 1.00000
O9 O 0.62791 0.92051 0.41880 1.00000
O10 O 0.87560 0.82527 0.44622 1.00000
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