KOsPbO6
Alexandria ALEXAlex-ID: agm005083004 · 空间群: P312 (#149)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD6_14_spg149
Pb3O4 K2OsO5 PbO2 OsO4
2022-12-17 17:06:25.532854
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005083004).
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 agm005083004
data_agm005083004
_cell_length_a 5.84518
_cell_length_b 5.84514
_cell_length_c 4.66932
_cell_angle_alpha 89.99191
_cell_angle_beta 90.01051
_cell_angle_gamma 59.95114
_cell_volume 138.09008
_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 0.66649 0.66652 0.50000 1.00000
Os1 Os 0.33328 0.33331 0.49999 1.00000
Pb1 Pb 0.99985 0.99989 1.00000 1.00000
O1 O 0.08392 0.31069 0.26585 1.00000
O2 O 0.31064 0.08396 0.73410 1.00000
O3 O 0.60544 0.31073 0.73419 1.00000
O4 O 0.08353 0.60593 0.73365 1.00000
O5 O 0.31071 0.60546 0.26580 1.00000
O6 O 0.60590 0.08355 0.26634 1.00000
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