Tb2AgTeO6
Alexandria ALEXAlex-ID: agm004949593 · 空间群: R3 (#146)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_266_spg146
Tb2TeO6 Ag
2022-07-29 05:03:49.474864
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004949593).
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 agm004949593
data_agm004949593
_cell_length_a 5.80762
_cell_length_b 5.80771
_cell_length_c 6.15432
_cell_angle_alpha 61.85002
_cell_angle_beta 61.85360
_cell_angle_gamma 60.00360
_cell_volume 150.75968
_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
Tb1 Tb 0.52769 0.52770 0.41693 1.00000
Tb2 Tb 0.01464 0.01465 0.95605 1.00000
Ag1 Ag 0.78428 0.78426 0.64723 1.00000
Te1 Te 0.32267 0.32266 0.03199 1.00000
O1 O 0.58297 0.24458 0.22255 1.00000
O2 O 0.24469 0.94990 0.22246 1.00000
O3 O 0.94987 0.58298 0.22246 1.00000
O4 O 0.38169 0.69448 0.76520 1.00000
O5 O 0.69446 0.15869 0.76516 1.00000
O6 O 0.15864 0.38170 0.76516 1.00000
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