Rb2Mn2TeO6
Alexandria ALEXAlex-ID: agm002365481 · 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
AB2C2D6_25_spg12
Mn2O3 Rb2TeO3
2019-02-25 20:27:28
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002365481).
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 agm002365481
data_agm002365481
_cell_length_a 5.52019
_cell_length_b 5.51954
_cell_length_c 6.75525
_cell_angle_alpha 98.07642
_cell_angle_beta 98.07833
_cell_angle_gamma 120.09787
_cell_volume 170.87611
_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
Mn1 Mn 0.33656 0.66703 0.99997 1.00000
Mn2 Mn 0.66704 0.33661 0.99996 1.00000
Te1 Te 0.99800 0.99798 0.98307 1.00000
O1 O 0.74401 0.74396 0.15663 1.00000
O2 O 0.05622 0.36754 0.15895 1.00000
O3 O 0.33900 0.33900 0.84324 1.00000
O4 O 0.36747 0.05616 0.15895 1.00000
O5 O 0.95156 0.56082 0.84977 1.00000
O6 O 0.56078 0.95157 0.84980 1.00000
Rb1 Rb 0.82180 0.15749 0.49982 1.00000
Rb2 Rb 0.15755 0.82185 0.49985 1.00000
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