Rb5Tl6Ag
Alexandria ALEXAlex-ID: agm006136118 · 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
AB5C6_72_spg12
Rb8Tl11 Rb Ag
2023-09-04 07:57:50.860853
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006136118).
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 agm006136118
data_agm006136118
_cell_length_a 9.76615
_cell_length_b 7.58432
_cell_length_c 9.10863
_cell_angle_alpha 65.39714
_cell_angle_beta 79.34596
_cell_angle_gamma 63.63612
_cell_volume 549.62196
_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
Tl1 Tl 0.69111 0.95294 0.00000 1.00000
Tl2 Tl 0.82091 0.94878 0.29803 1.00000
Tl3 Tl 0.17909 0.75320 0.29803 1.00000
Tl4 Tl 0.17909 0.05122 0.70197 1.00000
Tl5 Tl 0.82091 0.24680 0.70197 1.00000
Tl6 Tl 0.30889 0.04706 1.00000 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
Rb1 Rb 0.50000 0.21204 0.57592 1.00000
Rb2 Rb 0.00000 0.63496 0.73008 1.00000
Rb3 Rb 1.00000 0.36504 0.26992 1.00000
Rb4 Rb 0.50000 0.50000 0.00000 1.00000
Rb5 Rb 0.50000 0.78796 0.42408 1.00000
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