Pm6Co8H
Alexandria ALEXAlex-ID: agm072143432 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_1026_spg2
Pm2Co17 PmCo PmH2
2024-10-06 11:29:05.991094
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072143432).
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 agm072143432
data_agm072143432
_cell_length_a 5.54316
_cell_length_b 5.97407
_cell_length_c 8.69744
_cell_angle_alpha 87.11036
_cell_angle_beta 84.29316
_cell_angle_gamma 80.23379
_cell_volume 282.27216
_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 0.89271 0.74958 0.58904 1.00000
Pm2 Pm 0.71027 0.32219 0.84410 1.00000
Pm3 Pm 0.32474 0.95090 0.79539 1.00000
Pm4 Pm 0.10729 0.25042 0.41096 1.00000
Pm5 Pm 0.28973 0.67781 0.15590 1.00000
Pm6 Pm 0.67526 0.04910 0.20461 1.00000
Co1 Co 0.83785 0.79841 0.93153 1.00000
Co2 Co 0.16215 0.20159 0.06847 1.00000
Co3 Co 0.15450 0.49183 0.86911 1.00000
Co4 Co 0.41135 0.83505 0.48179 1.00000
Co5 Co 0.63141 0.50822 0.37108 1.00000
Co6 Co 0.84550 0.50817 0.13089 1.00000
Co7 Co 0.58865 0.16495 0.51821 1.00000
Co8 Co 0.36859 0.49178 0.62892 1.00000
H1 H 0.00000 0.00000 0.00000 1.00000
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