Rb2TbO4
Alexandria ALEXAlex-ID: agm096785488 · 空间群: Amm2 (#38)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_134_spg38
RbTbO2 Rb2O3 Tb2O3
2025-04-12 07:26:14
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096785488).
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 agm096785488
data_agm096785488
_cell_length_a 4.60969
_cell_length_b 4.36862
_cell_length_c 7.61408
_cell_angle_alpha 89.61606
_cell_angle_beta 107.68666
_cell_angle_gamma 89.98863
_cell_volume 146.08103
_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 0.12849 0.93112 0.90046 1.00000
Rb2 Rb 0.39954 0.92379 0.44056 1.00000
Tb1 Tb 0.74503 0.42768 0.13258 1.00000
O1 O 0.58731 0.59289 0.81818 1.00000
O2 O 0.79246 0.92633 0.22698 1.00000
O3 O 0.58626 0.27092 0.81709 1.00000
O4 O 0.26091 0.42726 0.16416 1.00000
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