Rb3Tl8Pt3
Alexandria ALEXAlex-ID: agm005685845 · 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
A3B3C8_71_spg12
RbTl2Pt RbTl4Pt
2023-07-01 00:13:21.746195
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005685845).
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 agm005685845
data_agm005685845
_cell_length_a 6.25502
_cell_length_b 8.81991
_cell_length_c 8.82064
_cell_angle_alpha 83.99301
_cell_angle_beta 77.34982
_cell_angle_gamma 77.34033
_cell_volume 462.44665
_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 0.36501 0.64965 0.64962 1.00000
Rb2 Rb 0.63499 0.35035 0.35038 1.00000
Rb3 Rb 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.10033 0.16372 0.58845 1.00000
Tl2 Tl 0.89967 0.83628 0.41155 1.00000
Tl3 Tl 0.89972 0.41143 0.83624 1.00000
Tl4 Tl 0.10028 0.58857 0.16376 1.00000
Tl5 Tl 0.59531 0.71392 0.03582 1.00000
Tl6 Tl 0.40469 0.28608 0.96418 1.00000
Tl7 Tl 0.40466 0.96415 0.28599 1.00000
Tl8 Tl 0.59534 0.03585 0.71401 1.00000
Pt1 Pt 0.00000 0.50000 0.50000 1.00000
Pt2 Pt 0.81117 0.72254 0.72264 1.00000
Pt3 Pt 0.18883 0.27746 0.27736 1.00000
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