Co3Pb
Alexandria ALEXAlex-ID: agm005494431 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3_6_spg139
Pb Co
2023-03-18 18:30:54.955895
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005494431).
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 agm005494431
data_agm005494431
_cell_length_a 7.99860
_cell_length_b 7.99860
_cell_length_c 7.99860
_cell_angle_alpha 152.28191
_cell_angle_beta 152.28191
_cell_angle_gamma 39.60177
_cell_volume 110.50179
_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 0.00000 0.50000 0.50000 1.00000
Co2 Co 0.50000 0.00000 0.50000 1.00000
Co3 Co 0.75000 0.25000 0.50000 1.00000
Co4 Co 0.25000 0.75000 0.50000 1.00000
Co5 Co 0.87735 0.87735 0.00000 1.00000
Co6 Co 0.12265 0.12265 0.00000 1.00000
Pb1 Pb 0.62560 0.62560 0.00000 1.00000
Pb2 Pb 0.37440 0.37440 0.00000 1.00000
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