Rb2Tl6Au
Alexandria ALEXAlex-ID: agm005752993 · 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
AB2C6_934_spg12
RbTl4Au RbTl3 Rb2TlAu3
2023-07-09 06:45:02.774885
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005752993).
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 agm005752993
data_agm005752993
_cell_length_a 7.71793
_cell_length_b 7.64561
_cell_length_c 6.25125
_cell_angle_alpha 83.97272
_cell_angle_beta 90.00000
_cell_angle_gamma 120.31342
_cell_volume 316.07744
_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 0.70324 0.40648 0.18757 1.00000
Rb2 Rb 0.29676 0.59352 0.81243 1.00000
Tl1 Tl 0.77561 0.13457 0.71503 1.00000
Tl2 Tl 0.86507 0.73013 0.64337 1.00000
Tl3 Tl 0.35896 0.13457 0.71503 1.00000
Tl4 Tl 0.22439 0.86543 0.28497 1.00000
Tl5 Tl 0.13493 0.26987 0.35663 1.00000
Tl6 Tl 0.64104 0.86543 0.28497 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
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