Rb6Tl2Cd
Alexandria ALEXAlex-ID: agm005716632 · 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_2384_spg12
Rb8Tl11 Rb2Cd3 Rb
2023-07-09 08:03:58.740504
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005716632).
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 agm005716632
data_agm005716632
_cell_length_a 6.45319
_cell_length_b 6.99615
_cell_length_c 13.03657
_cell_angle_alpha 107.25498
_cell_angle_beta 90.00000
_cell_angle_gamma 117.46428
_cell_volume 492.18980
_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 0.55776 0.11551 0.73160 1.00000
Rb2 Rb 0.81606 0.63211 0.43749 1.00000
Rb3 Rb 0.69614 0.39228 0.08740 1.00000
Rb4 Rb 0.18394 0.36789 0.56251 1.00000
Rb5 Rb 0.44224 0.88449 0.26840 1.00000
Rb6 Rb 0.30386 0.60772 0.91260 1.00000
Tl1 Tl 0.88866 0.77732 0.75769 1.00000
Tl2 Tl 0.11134 0.22268 0.24231 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
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