RbSn(SbS2)3
Alexandria ALEXAlex-ID: agm021892829 · 空间群: Fdd2 (#43)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3D6_42_spg43
Rb2Sb8S13 Rb2Sb4S7 SnS
2025-01-03 21:10:22
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021892829).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm021892829
data_agm021892829
_cell_length_a 8.61470
_cell_length_b 8.61470
_cell_length_c 25.75705
_cell_angle_alpha 87.41477
_cell_angle_beta 92.58523
_cell_angle_gamma 43.04194
_cell_volume 1294.76902
_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 0.55356 0.10345 0.55981 1.00000
Rb2 Rb 0.08698 0.75585 0.44026 1.00000
Rb3 Rb 0.24415 0.91302 0.94026 1.00000
Rb4 Rb 0.89655 0.44644 0.05981 1.00000
Sn1 Sn 0.06050 0.13467 0.74011 1.00000
Sn2 Sn 0.86533 0.93950 0.24011 1.00000
Sn3 Sn 0.57046 0.12496 0.75992 1.00000
Sn4 Sn 0.87504 0.42954 0.25992 1.00000
Sb1 Sb 0.59872 0.12645 0.93011 1.00000
Sb2 Sb 0.00026 0.62907 0.67299 1.00000
Sb3 Sb 0.45024 0.98218 0.34097 1.00000
Sb4 Sb 0.91799 0.30708 0.56985 1.00000
Sb5 Sb 0.57735 0.55217 0.82702 1.00000
Sb6 Sb 0.87355 0.40128 0.43011 1.00000
Sb7 Sb 0.42652 0.64094 0.65899 1.00000
Sb8 Sb 0.44783 0.42265 0.32702 1.00000
Sb9 Sb 0.69292 0.08201 0.06985 1.00000
Sb10 Sb 0.01782 0.54976 0.84097 1.00000
Sb11 Sb 0.37093 0.99974 0.17299 1.00000
Sb12 Sb 0.35906 0.57348 0.15899 1.00000
S1 S 0.49820 0.17704 0.39943 1.00000
S2 S 0.22542 0.22763 0.67069 1.00000
S3 S 0.34032 0.13816 0.83327 1.00000
S4 S 0.34835 0.82704 0.10057 1.00000
S5 S 0.77237 0.77458 0.17069 1.00000
S6 S 0.76677 0.26099 0.49186 1.00000
S7 S 0.17296 0.65165 0.60057 1.00000
S8 S 0.85156 0.19534 0.32934 1.00000
S9 S 0.55958 0.70275 0.58329 1.00000
S10 S 0.42365 0.76309 0.24719 1.00000
S11 S 0.46424 0.77281 0.41653 1.00000
S12 S 0.23691 0.57635 0.74719 1.00000
S13 S 0.22719 0.53576 0.91653 1.00000
S14 S 0.52464 0.00326 0.00812 1.00000
S15 S 0.29725 0.44042 0.08329 1.00000
S16 S 0.73987 0.57339 0.75280 1.00000
S17 S 0.99674 0.47536 0.50812 1.00000
S18 S 0.82296 0.50180 0.89943 1.00000
S19 S 0.42661 0.26013 0.25280 1.00000
S20 S 0.86184 0.65968 0.33327 1.00000
S21 S 0.73901 0.23323 0.99186 1.00000
S22 S 0.80466 0.14844 0.82934 1.00000
S23 S 0.77841 0.24333 0.16673 1.00000
S24 S 0.75667 0.22159 0.66673 1.00000
