Rb2(HfTe2)3
Alexandria ALEXAlex-ID: agm005603695 · 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
A2B3C6_107_spg12
Rb(HfTe2)4 Rb4HfTe4 Hf3Te2
2023-06-12 20:30:38.933815
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005603695).
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 agm005603695
data_agm005603695
_cell_length_a 7.05754
_cell_length_b 7.05938
_cell_length_c 9.26189
_cell_angle_alpha 82.64764
_cell_angle_beta 75.16665
_cell_angle_gamma 60.00860
_cell_volume 386.33868
_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 0.16606 0.66788 0.50000 1.00000
Rb2 Rb 0.83394 0.33212 0.50000 1.00000
Hf1 Hf 0.00000 0.00000 0.00000 1.00000
Hf2 Hf 0.33115 0.33770 0.00000 1.00000
Hf3 Hf 0.66885 0.66230 0.00000 1.00000
Te1 Te 0.39821 0.67044 0.80651 1.00000
Te2 Te 0.72729 0.00000 0.80841 1.00000
Te3 Te 0.06865 0.32956 0.80651 1.00000
Te4 Te 0.27271 0.00000 0.19159 1.00000
Te5 Te 0.60179 0.32956 0.19349 1.00000
Te6 Te 0.93135 0.67044 0.19349 1.00000
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