Rb5Tl6Bi
Alexandria ALEXAlex-ID: agm006136162 · 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_69_spg12
Rb5Tl9 Rb3Tl3Bi2 Rb3Bi
2023-09-04 15:53:49.071985
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006136162).
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 agm006136162
data_agm006136162
_cell_length_a 10.06073
_cell_length_b 7.53688
_cell_length_c 9.21076
_cell_angle_alpha 65.84959
_cell_angle_beta 79.04769
_cell_angle_gamma 62.33007
_cell_volume 564.40844
_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 0.68971 0.93965 0.00000 1.00000
Tl2 Tl 0.81534 0.95499 0.31647 1.00000
Tl3 Tl 0.18466 0.72855 0.31647 1.00000
Tl4 Tl 0.18466 0.04501 0.68353 1.00000
Tl5 Tl 0.81534 0.27145 0.68353 1.00000
Tl6 Tl 0.31029 0.06035 1.00000 1.00000
Bi1 Bi 0.00000 0.00000 0.00000 1.00000
Rb1 Rb 0.50000 0.20237 0.59526 1.00000
Rb2 Rb 0.00000 0.63101 0.73798 1.00000
Rb3 Rb 1.00000 0.36899 0.26202 1.00000
Rb4 Rb 0.50000 0.50000 0.00000 1.00000
Rb5 Rb 0.50000 0.79763 0.40474 1.00000
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