K2LaO3
Alexandria ALEXAlex-ID: agm002228552 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_1210_spg12
K5O6 KLaO2 K2O
2023-03-26 12:39:50.290878
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002228552).
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 agm002228552
data_agm002228552
_cell_length_a 6.57694
_cell_length_b 6.57691
_cell_length_c 6.66112
_cell_angle_alpha 98.67089
_cell_angle_beta 98.67299
_cell_angle_gamma 121.40906
_cell_volume 233.94665
_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 0.00023 0.00017 0.99959 1.00000
K2 K 0.50024 0.50017 0.49960 1.00000
K3 K 0.65709 0.34328 0.99961 1.00000
K4 K 0.34336 0.65704 0.99959 1.00000
O1 O 0.80514 0.80509 0.29562 1.00000
O2 O 0.41374 0.03845 0.29371 1.00000
O3 O 0.03852 0.41369 0.29373 1.00000
O4 O 0.96195 0.58665 0.70546 1.00000
O5 O 0.58674 0.96189 0.70548 1.00000
O6 O 0.19533 0.19525 0.70357 1.00000
La1 La 0.16115 0.83926 0.49959 1.00000
La2 La 0.83932 0.16108 0.49959 1.00000
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