SmCo3P2
Alexandria ALEXAlex-ID: agm005809208 · 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
AB2C3_2319_spg12
SmCo3P2
2023-08-24 06:34:56.339640
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005809208).
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 agm005809208
data_agm005809208
_cell_length_a 3.68986
_cell_length_b 7.72855
_cell_length_c 9.16813
_cell_angle_alpha 106.29567
_cell_angle_beta 90.00000
_cell_angle_gamma 103.81076
_cell_volume 243.06158
_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
Sm1 Sm 0.15496 0.30992 0.69967 1.00000
Sm2 Sm 0.84504 0.69008 0.30033 1.00000
Sm3 Sm 0.00000 0.00000 0.00000 1.00000
Co1 Co 0.04884 0.09768 0.33877 1.00000
Co2 Co 0.95116 0.90232 0.66123 1.00000
Co3 Co 0.21778 0.43557 0.39521 1.00000
Co4 Co 0.78222 0.56443 0.60479 1.00000
Co5 Co 0.62830 0.25659 0.21315 1.00000
Co6 Co 0.37170 0.74341 0.78685 1.00000
Co7 Co 0.50000 0.00000 0.50000 1.00000
Co8 Co 0.32171 0.64342 0.03130 1.00000
Co9 Co 0.67829 0.35658 0.96870 1.00000
P1 P 0.19842 0.39684 0.13094 1.00000
P2 P 0.80158 0.60316 0.86906 1.00000
P3 P 0.47007 0.94014 0.22695 1.00000
P4 P 0.52993 0.05986 0.77305 1.00000
P5 P 0.35914 0.71828 0.54634 1.00000
P6 P 0.64086 0.28172 0.45366 1.00000
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