Rb2Te3Pb2
Alexandria ALEXAlex-ID: agm005550737 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_768_spg15
Rb6Te4Pb TePb
2023-06-09 18:51:30.727630
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005550737).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005550737
data_agm005550737
_cell_length_a 9.39031
_cell_length_b 12.79436
_cell_length_c 12.79436
_cell_angle_alpha 88.71469
_cell_angle_beta 68.51387
_cell_angle_gamma 68.51387
_cell_volume 1319.80451
_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 0.91338 0.03263 0.19692 1.00000
Rb2 Rb 0.41338 0.19692 0.03263 1.00000
Rb3 Rb 0.75000 0.27891 0.72109 1.00000
Rb4 Rb 0.75000 0.56618 0.43382 1.00000
Rb5 Rb 0.25000 0.43382 0.56618 1.00000
Rb6 Rb 0.25000 0.72109 0.27891 1.00000
Rb7 Rb 0.58662 0.80308 0.96737 1.00000
Rb8 Rb 0.08662 0.96737 0.80308 1.00000
Te1 Te 0.72055 0.27306 0.42304 1.00000
Te2 Te 0.72559 0.59043 0.14326 1.00000
Te3 Te 0.22055 0.42304 0.27306 1.00000
Te4 Te 0.22559 0.14326 0.59043 1.00000
Te5 Te 0.79834 0.22900 0.00494 1.00000
Te6 Te 0.20166 0.77100 0.99506 1.00000
Te7 Te 0.77441 0.85674 0.40957 1.00000
Te8 Te 0.77945 0.57696 0.72694 1.00000
Te9 Te 0.29834 0.00494 0.22900 1.00000
Te10 Te 0.27441 0.40957 0.85674 1.00000
Te11 Te 0.27945 0.72694 0.57696 1.00000
Te12 Te 0.70166 0.99506 0.77100 1.00000
Pb1 Pb 0.60168 0.38625 0.22448 1.00000
Pb2 Pb 0.59779 0.08371 0.56653 1.00000
Pb3 Pb 0.10168 0.22448 0.38625 1.00000
Pb4 Pb 0.09779 0.56653 0.08371 1.00000
Pb5 Pb 0.90221 0.43347 0.91629 1.00000
Pb6 Pb 0.89832 0.77552 0.61375 1.00000
Pb7 Pb 0.40221 0.91629 0.43347 1.00000
Pb8 Pb 0.39832 0.61375 0.77552 1.00000
