K2Sr(SbPt)2
Alexandria ALEXAlex-ID: agm026458449 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_144_spg166
K3(SbPt)2 K3Sb SrPt2 SrSbPt
2024-09-13 22:10:33.555820
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm026458449).
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 agm026458449
data_agm026458449
_cell_length_a 13.87151
_cell_length_b 13.87151
_cell_length_c 13.87151
_cell_angle_alpha 19.04991
_cell_angle_beta 19.04991
_cell_angle_gamma 19.04991
_cell_volume 248.51994
_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
K1 K 0.11107 0.11107 0.11107 1.00000
K2 K 0.88893 0.88893 0.88893 1.00000
Sr1 Sr 0.00000 0.00000 0.00000 1.00000
Sb1 Sb 0.72283 0.72283 0.72283 1.00000
Sb2 Sb 0.27717 0.27717 0.27717 1.00000
Pt1 Pt 0.61292 0.61292 0.61292 1.00000
Pt2 Pt 0.38708 0.38708 0.38708 1.00000
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