Rb4SiTe4
Alexandria ALEXAlex-ID: agm014287294 · 空间群: I-42m (#121)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C4_216_spg121
Rb4SiTe4
2024-08-04 21:05:21.154485
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014287294).
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 agm014287294
data_agm014287294
_cell_length_a 8.97274
_cell_length_b 8.97274
_cell_length_c 8.97274
_cell_angle_alpha 130.91836
_cell_angle_beta 130.91836
_cell_angle_gamma 71.94282
_cell_volume 403.42263
_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 0.06956 0.65872 0.00000 1.00000
Rb2 Rb 0.65872 0.06956 0.00000 1.00000
Rb3 Rb 0.93044 0.93044 0.58917 1.00000
Rb4 Rb 0.34128 0.34128 0.41083 1.00000
Si1 Si 0.50000 0.50000 0.00000 1.00000
Te1 Te 0.41276 0.79992 0.00000 1.00000
Te2 Te 0.79992 0.41276 0.00000 1.00000
Te3 Te 0.58724 0.58724 0.38717 1.00000
Te4 Te 0.20008 0.20008 0.61283 1.00000
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