Rb2NbTlTe4
Alexandria ALEXAlex-ID: agm017489246 · 空间群: I-42m (#121)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_39_spg82
NbTe2 NbTe4 Rb3NbTe4 Tl2Te
2025-01-21 19:49:21
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017489246).
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 agm017489246
data_agm017489246
_cell_length_a 7.57952
_cell_length_b 7.57952
_cell_length_c 7.54024
_cell_angle_alpha 72.28193
_cell_angle_beta 107.71807
_cell_angle_gamma 67.34915
_cell_volume 334.17033
_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 0.99930 0.49786 0.50147 1.00000
Rb2 Rb 0.50214 0.00070 0.50147 1.00000
Nb1 Nb 0.49967 0.50033 0.99800 1.00000
Tl1 Tl 0.00195 0.99805 0.00261 1.00000
Te1 Te 0.85838 0.47154 0.99821 1.00000
Te2 Te 0.14240 0.85760 0.66939 1.00000
Te3 Te 0.47093 0.52907 0.32956 1.00000
Te4 Te 0.52846 0.14162 0.99821 1.00000
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