K4CO4
Alexandria ALEXAlex-ID: agm005502840 · 空间群: I-4 (#82)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C4_192_spg82
K2O K2CO3
2023-03-19 12:28:50.843014
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005502840).
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 agm005502840
data_agm005502840
_cell_length_a 5.97292
_cell_length_b 5.97292
_cell_length_c 5.97292
_cell_angle_alpha 102.19061
_cell_angle_beta 102.19061
_cell_angle_gamma 125.28687
_cell_volume 154.48541
_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 0.80755 0.66356 0.60373 1.00000
K2 K 0.05983 0.20382 0.39627 1.00000
K3 K 0.79618 0.19245 0.85601 1.00000
K4 K 0.33644 0.94017 0.14399 1.00000
C1 C 0.50000 0.50000 0.00000 1.00000
O1 O 0.38734 0.50237 0.18898 1.00000
O2 O 0.31340 0.19836 0.81102 1.00000
O3 O 0.80164 0.61266 0.11503 1.00000
O4 O 0.49763 0.68660 0.88497 1.00000
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