K6RbPt2
Alexandria ALEXAlex-ID: agm097595474 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_3483_spg35
K Rb KPt2
2025-04-07 01:53:21
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097595474).
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 agm097595474
data_agm097595474
_cell_length_a 6.83759
_cell_length_b 6.63350
_cell_length_c 9.71239
_cell_angle_alpha 83.03871
_cell_angle_beta 95.81783
_cell_angle_gamma 79.75513
_cell_volume 426.88683
_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 0.75097 0.37174 0.93895 1.00000
K2 K 0.50226 0.61061 0.36966 1.00000
K3 K 0.91701 0.78951 0.17779 1.00000
K4 K 0.08002 0.42984 0.54509 1.00000
K5 K 0.68684 0.02822 0.55245 1.00000
K6 K 0.25116 0.85260 0.77817 1.00000
Rb1 Rb 0.32104 0.19555 0.16554 1.00000
Pt1 Pt 0.85492 0.25632 0.28180 1.00000
Pt2 Pt 0.13577 0.96563 0.44055 1.00000
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