Ac(CO3)2
Alexandria ALEXAlex-ID: agm005653707 · 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_773_spg15
Ac(CO3)2
2023-07-06 14:55:21.323589
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653707).
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 agm005653707
data_agm005653707
_cell_length_a 7.30963
_cell_length_b 6.77553
_cell_length_c 6.77554
_cell_angle_alpha 70.69389
_cell_angle_beta 60.54875
_cell_angle_gamma 60.54876
_cell_volume 252.69165
_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
Ac1 Ac 0.25000 0.18831 0.81169 1.00000
Ac2 Ac 0.75000 0.81169 0.18831 1.00000
C1 C 0.35954 0.67160 0.78244 1.00000
C2 C 0.14046 0.21756 0.32840 1.00000
C3 C 0.64046 0.32840 0.21756 1.00000
C4 C 0.85954 0.78244 0.67160 1.00000
O1 O 0.48135 0.77619 0.61509 1.00000
O2 O 0.01865 0.38491 0.22381 1.00000
O3 O 0.51865 0.22381 0.38491 1.00000
O4 O 0.98135 0.61509 0.77619 1.00000
O5 O 0.91796 0.79198 0.45925 1.00000
O6 O 0.58204 0.54075 0.20802 1.00000
O7 O 0.08204 0.20802 0.54075 1.00000
O8 O 0.41796 0.45925 0.79198 1.00000
O9 O 0.18002 0.79108 0.94140 1.00000
O10 O 0.31998 0.05860 0.20892 1.00000
O11 O 0.81998 0.20892 0.05860 1.00000
O12 O 0.68002 0.94140 0.79108 1.00000
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