Co(PO3)2
Alexandria ALEXAlex-ID: agm005676941 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_830_spg15
Co(PO3)2
2023-07-09 02:15:09.250661
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005676941).
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 agm005676941
data_agm005676941
_cell_length_a 4.80088
_cell_length_b 7.62631
_cell_length_c 7.62631
_cell_angle_alpha 89.89239
_cell_angle_beta 107.62937
_cell_angle_gamma 107.62937
_cell_volume 252.36710
_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
Co1 Co 0.25000 0.79910 0.20090 1.00000
Co2 Co 0.75000 0.20090 0.79910 1.00000
P1 P 0.21333 0.36782 0.20104 1.00000
P2 P 0.28667 0.79896 0.63218 1.00000
P3 P 0.78667 0.63218 0.79896 1.00000
P4 P 0.71333 0.20104 0.36782 1.00000
O1 O 0.46016 0.30247 0.35892 1.00000
O2 O 0.03984 0.64108 0.69753 1.00000
O3 O 0.53984 0.69753 0.64108 1.00000
O4 O 0.96016 0.35892 0.30247 1.00000
O5 O 0.85181 0.18093 0.56847 1.00000
O6 O 0.64819 0.43153 0.81907 1.00000
O7 O 0.14819 0.81907 0.43153 1.00000
O8 O 0.35181 0.56847 0.18093 1.00000
O9 O 0.08644 0.23023 0.03326 1.00000
O10 O 0.41356 0.96674 0.76977 1.00000
O11 O 0.91356 0.76977 0.96674 1.00000
O12 O 0.58644 0.03326 0.23023 1.00000
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