RbTl2GeTe4
Alexandria ALEXAlex-ID: agm004868280 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_272_spg15
Rb2GeTe3 Rb2Te5 RbGeTe3 Tl3GeTe3
2022-07-14 08:49:08.117435
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004868280).
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 agm004868280
data_agm004868280
_cell_length_a 9.24728
_cell_length_b 9.24729
_cell_length_c 8.85709
_cell_angle_alpha 118.67335
_cell_angle_beta 118.67342
_cell_angle_gamma 90.83624
_cell_volume 552.74950
_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 0.00000 0.50000 0.00001 1.00000
Rb2 Rb 1.00000 0.50000 0.49999 1.00000
Tl1 Tl 0.50000 0.00000 0.00000 1.00000
Tl2 Tl 0.50000 0.00000 0.50000 1.00000
Tl3 Tl 0.00000 0.00000 0.50000 1.00000
Tl4 Tl 0.50000 0.50000 1.00000 1.00000
Ge1 Ge 0.50000 0.50000 0.50000 1.00000
Ge2 Ge 0.99999 0.00000 1.00000 1.00000
Te1 Te 0.26842 0.79301 0.03110 1.00000
Te2 Te 0.70699 0.23159 0.46890 1.00000
Te3 Te 0.29301 0.76840 0.53110 1.00000
Te4 Te 0.73160 0.20699 0.96891 1.00000
Te5 Te 0.73720 0.76336 0.97585 1.00000
Te6 Te 0.73664 0.76280 0.52415 1.00000
Te7 Te 0.26336 0.23721 0.47585 1.00000
Te8 Te 0.26279 0.23664 0.02415 1.00000
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