Pm2Ni5Ge3
Alexandria ALEXAlex-ID: agm003343045 · 空间群: Ibam (#72)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C5_1_spg72
Pm3(NiGe)4 PmNi5 Pm(NiGe)2
2022-02-02 13:39:55.823355
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003343045).
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 agm003343045
data_agm003343045
_cell_length_a 5.75170
_cell_length_b 8.15086
_cell_length_c 8.15086
_cell_angle_alpha 71.85478
_cell_angle_beta 69.33963
_cell_angle_gamma 69.33963
_cell_volume 326.83781
_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 0.12972 0.62751 0.11304 1.00000
Pm2 Pm 0.62972 0.11304 0.62751 1.00000
Pm3 Pm 0.87028 0.37249 0.88696 1.00000
Pm4 Pm 0.37028 0.88696 0.37249 1.00000
Ni1 Ni 0.37034 0.24411 0.01521 1.00000
Ni2 Ni 0.87034 0.01521 0.24411 1.00000
Ni3 Ni 0.62966 0.75589 0.98479 1.00000
Ni4 Ni 0.12966 0.98479 0.75589 1.00000
Ni5 Ni 0.52015 0.72985 0.72985 1.00000
Ni6 Ni 0.47985 0.27015 0.27015 1.00000
Ni7 Ni 0.75000 0.50000 0.50000 1.00000
Ni8 Ni 0.25000 0.50000 0.50000 1.00000
Ni9 Ni 0.97985 0.27015 0.27015 1.00000
Ni10 Ni 0.02015 0.72985 0.72985 1.00000
Ge1 Ge 0.38377 0.47729 0.75517 1.00000
Ge2 Ge 0.88377 0.75517 0.47729 1.00000
Ge3 Ge 0.61623 0.52271 0.24483 1.00000
Ge4 Ge 0.11623 0.24483 0.52271 1.00000
Ge5 Ge 0.25000 0.00000 0.00000 1.00000
Ge6 Ge 0.75000 0.00000 0.00000 1.00000
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