K5CdO3
Alexandria ALEXAlex-ID: agm005962928 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_432_spg10
K6CdO4 K2O KCd2
2023-08-01 04:13:07.684486
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005962928).
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 agm005962928
data_agm005962928
_cell_length_a 3.99439
_cell_length_b 6.26107
_cell_length_c 18.67500
_cell_angle_alpha 95.36181
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 465.00263
_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 0.50000 0.82355 0.72705 1.00000
K2 K 0.50000 0.82097 0.06753 1.00000
K3 K 0.50000 0.74879 0.38453 1.00000
K4 K 0.00000 0.68936 0.89211 1.00000
K5 K 0.00000 0.72481 0.55792 1.00000
K6 K 0.00000 0.27519 0.44208 1.00000
K7 K 0.00000 0.31064 0.10789 1.00000
K8 K 0.50000 0.17903 0.93247 1.00000
K9 K 0.50000 0.25121 0.61547 1.00000
K10 K 0.50000 0.17645 0.27295 1.00000
Cd1 Cd 0.00000 0.71351 0.23251 1.00000
Cd2 Cd 0.00000 0.28649 0.76749 1.00000
O1 O 0.00000 0.00000 0.00000 1.00000
O2 O 0.00000 0.04359 0.67306 1.00000
O3 O 0.00000 0.95641 0.32694 1.00000
O4 O 0.50000 0.44943 0.80762 1.00000
O5 O 0.50000 0.50000 0.50000 1.00000
O6 O 0.50000 0.55057 0.19238 1.00000
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