Sr3Co2O9
Alexandria ALEXAlex-ID: agm005259463 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C9_114_spg12
SrO4 SrCoO3 Sr2CoO4
2023-05-06 21:45:46.954885
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005259463).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005259463
data_agm005259463
_cell_length_a 11.78031
_cell_length_b 11.78031
_cell_length_c 3.93846
_cell_angle_alpha 74.94658
_cell_angle_beta 74.94658
_cell_angle_gamma 19.28775
_cell_volume 174.15913
_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
Sr1 Sr 0.33535 0.33535 0.75077 1.00000
Sr2 Sr 0.66465 0.66465 0.24923 1.00000
Sr3 Sr 0.50000 0.50000 0.50000 1.00000
Co1 Co 0.08432 0.08432 0.86770 1.00000
Co2 Co 0.91568 0.91568 0.13230 1.00000
O1 O 0.41027 0.41027 0.13655 1.00000
O2 O 0.58973 0.58973 0.86345 1.00000
O3 O 0.17654 0.17654 0.66241 1.00000
O4 O 0.82346 0.82346 0.33759 1.00000
O5 O 0.21662 0.21662 0.87048 1.00000
O6 O 0.78338 0.78338 0.12952 1.00000
O7 O 0.08947 0.08947 0.35624 1.00000
O8 O 0.91053 0.91053 0.64376 1.00000
O9 O 0.00000 0.00000 0.00000 1.00000
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