Rb3(TlSb)4
Alexandria ALEXAlex-ID: agm005696355 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_0_spg71
RbTlSb RbSb2 Rb3Tl7Sb4
2023-07-02 02:04:50.693490
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005696355).
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 agm005696355
data_agm005696355
_cell_length_a 5.21970
_cell_length_b 5.65473
_cell_length_c 15.54576
_cell_angle_alpha 79.83724
_cell_angle_beta 80.37085
_cell_angle_gamma 89.99255
_cell_volume 445.08183
_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 0.14644 0.64781 0.70591 1.00000
Rb2 Rb 0.85359 0.35222 0.29410 1.00000
Rb3 Rb 0.00002 0.00002 0.99999 1.00000
Tl1 Tl 0.58953 0.09221 0.81717 1.00000
Tl2 Tl 0.25407 0.25445 0.49206 1.00000
Tl3 Tl 0.74596 0.74556 0.50796 1.00000
Tl4 Tl 0.41046 0.90781 0.18284 1.00000
Sb1 Sb 0.54633 0.54734 0.90724 1.00000
Sb2 Sb 0.45373 0.45272 0.09271 1.00000
Sb3 Sb 0.30435 0.80316 0.39125 1.00000
Sb4 Sb 0.69568 0.19685 0.60877 1.00000
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