K2CO3
Alexandria ALEXAlex-ID: agm077760880 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_1547_spg11
K2CO3
2025-01-09 01:09:46
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm077760880).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm077760880
data_agm077760880
_cell_length_a 5.28817
_cell_length_b 8.51518
_cell_length_c 5.33928
_cell_angle_alpha 90.00000
_cell_angle_beta 94.94682
_cell_angle_gamma 90.00000
_cell_volume 239.53048
_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 0.23746 0.49917 0.73812 1.00000
K2 K 0.23746 0.00083 0.73812 1.00000
K3 K 0.76254 0.99917 0.26188 1.00000
K4 K 0.76254 0.50083 0.26188 1.00000
C1 C 0.20527 0.25000 0.29322 1.00000
C2 C 0.79473 0.75000 0.70678 1.00000
O1 O 0.28600 0.38375 0.21151 1.00000
O2 O 0.28600 0.11625 0.21151 1.00000
O3 O 0.71400 0.88375 0.78849 1.00000
O4 O 0.71400 0.61625 0.78849 1.00000
O5 O 0.03846 0.25000 0.46148 1.00000
O6 O 0.96154 0.75000 0.53852 1.00000
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