Rb8Te2O
Alexandria ALEXAlex-ID: agm003526643 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_736_spg12
Rb9O2 Rb3O Rb2Te
2022-03-17 02:12:45.658523
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003526643).
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 agm003526643
data_agm003526643
_cell_length_a 5.92588
_cell_length_b 10.24015
_cell_length_c 10.05233
_cell_angle_alpha 82.78162
_cell_angle_beta 107.14262
_cell_angle_gamma 90.00000
_cell_volume 577.83348
_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
Rb1 Rb 0.45170 0.75888 0.90341 1.00000
Rb2 Rb 0.68104 0.92752 0.36209 1.00000
Rb3 Rb 0.82505 0.55899 0.65010 1.00000
Rb4 Rb 0.93414 0.13614 0.86829 1.00000
Rb5 Rb 0.17495 0.44101 0.34990 1.00000
Rb6 Rb 0.31896 0.07248 0.63791 1.00000
Rb7 Rb 0.54830 0.24112 0.09659 1.00000
Rb8 Rb 0.06586 0.86386 0.13171 1.00000
Te1 Te 0.74666 0.24787 0.49332 1.00000
Te2 Te 0.25334 0.75213 0.50668 1.00000
O1 O 0.50000 0.00000 0.00000 1.00000
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