K4LaO8
Alexandria ALEXAlex-ID: agm097516886 · 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
AB4C8_2026_spg1
LaO2 K2O3
2025-06-22 10:45:53
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097516886).
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 agm097516886
data_agm097516886
_cell_length_a 4.23988
_cell_length_b 7.87745
_cell_length_c 8.28300
_cell_angle_alpha 122.19208
_cell_angle_beta 80.99849
_cell_angle_gamma 93.40609
_cell_volume 231.13959
_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 0.05451 0.80595 0.63380 1.00000
K2 K 0.61876 0.13585 0.54035 1.00000
K3 K 0.92879 0.42683 0.99115 1.00000
K4 K 0.06336 0.36263 0.34249 1.00000
La1 La 0.43590 0.88026 0.02787 1.00000
O1 O 0.89449 0.98992 0.16126 1.00000
O2 O 0.41588 0.19049 0.00508 1.00000
O3 O 0.61844 0.73163 0.31520 1.00000
O4 O 0.68818 0.54376 0.75528 1.00000
O5 O 0.58396 0.59402 0.37671 1.00000
O6 O 0.34418 0.52644 0.74788 1.00000
O7 O 0.31195 0.78445 0.29084 1.00000
O8 O 0.54161 0.02779 0.81207 1.00000
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