Pm4PaCo5
Alexandria ALEXAlex-ID: agm006124571 · 空间群: I4mm (#107)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C5_159_spg107
PmPaCo2 PmCo
2023-10-10 22:28:39
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006124571).
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 agm006124571
data_agm006124571
_cell_length_a 4.90798
_cell_length_b 6.98250
_cell_length_c 6.98250
_cell_angle_alpha 82.90494
_cell_angle_beta 69.42408
_cell_angle_gamma 69.42407
_cell_volume 209.73389
_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 0.77312 0.71270 0.71267 1.00000
Pm2 Pm 0.48579 0.28733 0.71270 1.00000
Pm3 Pm 0.48582 0.71267 0.28730 1.00000
Pm4 Pm 0.19849 0.28730 0.28733 1.00000
Pa1 Pa 0.08041 0.00000 0.00000 1.00000
Co1 Co 0.14630 0.63983 0.00002 1.00000
Co2 Co 0.14631 0.99999 0.63983 1.00000
Co3 Co 0.78613 0.00002 0.36017 1.00000
Co4 Co 0.78614 0.36017 0.99999 1.00000
Co5 Co 0.60120 1.00000 1.00000 1.00000
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