Pm3Fe3Ge8
Alexandria ALEXAlex-ID: agm005685574 · 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
A3B3C8_28_spg71
Pm(Fe2Ge)2 Pm3Fe2Ge7 PmFeGe3
2023-06-29 11:13:01.279232
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005685574).
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 agm005685574
data_agm005685574
_cell_length_a 4.37202
_cell_length_b 8.24018
_cell_length_c 8.80872
_cell_angle_alpha 59.22721
_cell_angle_beta 75.63110
_cell_angle_gamma 74.61603
_cell_volume 260.46159
_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 0.28386 0.75484 0.67744 1.00000
Pm2 Pm 0.71614 0.24516 0.32256 1.00000
Pm3 Pm 0.00000 0.00000 0.00000 1.00000
Fe1 Fe 0.00000 0.50000 0.50000 1.00000
Fe2 Fe 0.66839 0.66491 0.99832 1.00000
Fe3 Fe 0.33161 0.33509 0.00168 1.00000
Ge1 Ge 0.11764 0.16943 0.59530 1.00000
Ge2 Ge 0.88236 0.83057 0.40470 1.00000
Ge3 Ge 0.83937 0.43788 0.88339 1.00000
Ge4 Ge 0.16063 0.56212 0.11661 1.00000
Ge5 Ge 0.52364 0.65527 0.29744 1.00000
Ge6 Ge 0.47636 0.34473 0.70256 1.00000
Ge7 Ge 0.36444 0.02643 0.24468 1.00000
Ge8 Ge 0.63556 0.97357 0.75532 1.00000
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