RbTl2Cd3
Alexandria ALEXAlex-ID: agm005698462 · 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
AB2C3_865_spg12
Rb5Tl11Cd2 Tl RbCd11
2023-08-24 12:08:06.135228
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698462).
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 agm005698462
data_agm005698462
_cell_length_a 4.39758
_cell_length_b 8.76316
_cell_length_c 10.79434
_cell_angle_alpha 70.62394
_cell_angle_beta 78.24668
_cell_angle_gamma 75.46846
_cell_volume 376.54507
_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 0.11071 0.75065 0.02793 1.00000
Rb2 Rb 0.88929 0.24935 0.97207 1.00000
Tl1 Tl 0.58840 0.07542 0.74778 1.00000
Tl2 Tl 0.41160 0.92458 0.25222 1.00000
Tl3 Tl 0.22012 0.32388 0.23588 1.00000
Tl4 Tl 0.77988 0.67612 0.76412 1.00000
Cd1 Cd 0.74278 0.09547 0.41897 1.00000
Cd2 Cd 0.07571 0.29569 0.55288 1.00000
Cd3 Cd 0.42930 0.49031 0.65109 1.00000
Cd4 Cd 0.57070 0.50969 0.34891 1.00000
Cd5 Cd 0.92429 0.70431 0.44712 1.00000
Cd6 Cd 0.25722 0.90453 0.58103 1.00000
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