Pm6Co2Hg
Alexandria ALEXAlex-ID: agm003483385 · 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
AB2C6_679_spg12
Pm12Co6Hg Pm5Co2 Pm4CoHg
2022-02-24 03:46:20.038545
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003483385).
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 agm003483385
data_agm003483385
_cell_length_a 5.14448
_cell_length_b 5.70912
_cell_length_c 9.12092
_cell_angle_alpha 79.81314
_cell_angle_beta 90.00000
_cell_angle_gamma 116.77890
_cell_volume 234.41558
_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
Pm1 Pm 0.96652 0.93305 0.84629 1.00000
Pm2 Pm 0.70788 0.41576 0.15928 1.00000
Pm3 Pm 0.29212 0.58424 0.84072 1.00000
Pm4 Pm 0.66312 0.32624 0.62073 1.00000
Pm5 Pm 0.33688 0.67376 0.37927 1.00000
Pm6 Pm 0.03348 0.06695 0.15371 1.00000
Co1 Co 0.61136 0.22272 0.90947 1.00000
Co2 Co 0.38864 0.77728 0.09053 1.00000
Hg1 Hg 0.00000 0.00000 0.50000 1.00000
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