K8RbPb2
Alexandria ALEXAlex-ID: agm005906232 · 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
AB2C8_1793_spg1
K Rb KPb
2023-10-21 00:50:15
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005906232).
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
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# CIF generated by HEAS from Alexandria entry agm005906232
data_agm005906232
_cell_length_a 7.68547
_cell_length_b 8.11552
_cell_length_c 11.67684
_cell_angle_alpha 116.51873
_cell_angle_beta 108.42097
_cell_angle_gamma 90.27001
_cell_volume 609.09870
_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 0.75982 0.37205 0.90872 1.00000
K2 K 0.76481 0.99768 0.49575 1.00000
K3 K 0.37090 0.23008 0.29562 1.00000
K4 K 0.81455 0.04082 0.13796 1.00000
K5 K 0.17747 0.73205 0.32086 1.00000
K6 K 0.98282 0.49207 0.52445 1.00000
K7 K 0.31833 0.61930 0.95413 1.00000
K8 K 0.57757 0.68758 0.67227 1.00000
Rb1 Rb 0.25793 0.09475 0.86703 1.00000
Pb1 Pb 0.64242 0.50994 0.21935 1.00000
Pb2 Pb 0.33337 0.22367 0.60385 1.00000
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