Fe3GeP5
Alexandria ALEXAlex-ID: agm050374792 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_13_spg10
FeP2 Ge FeP
2024-12-29 21:03:20
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm050374792).
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 agm050374792
data_agm050374792
_cell_length_a 5.68908
_cell_length_b 2.71484
_cell_length_c 15.34693
_cell_angle_alpha 90.00000
_cell_angle_beta 90.87970
_cell_angle_gamma 90.00000
_cell_volume 237.00402
_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
Fe1 Fe 0.50000 0.00000 0.50000 1.00000
Fe2 Fe 0.48111 0.00000 0.83522 1.00000
Fe3 Fe 0.51889 0.00000 0.16478 1.00000
Fe4 Fe 0.00892 0.50000 0.65726 1.00000
Fe5 Fe 0.00000 0.50000 0.00000 1.00000
Fe6 Fe 0.99108 0.50000 0.34274 1.00000
Ge1 Ge 0.12642 0.00000 0.22596 1.00000
Ge2 Ge 0.87358 0.00000 0.77404 1.00000
P1 P 0.36890 0.50000 0.72135 1.00000
P2 P 0.36594 0.50000 0.39206 1.00000
P3 P 0.37347 0.50000 0.05830 1.00000
P4 P 0.13423 0.00000 0.55415 1.00000
P5 P 0.13211 0.00000 0.89664 1.00000
P6 P 0.86789 0.00000 0.10336 1.00000
P7 P 0.86577 0.00000 0.44585 1.00000
P8 P 0.63406 0.50000 0.60794 1.00000
P9 P 0.62653 0.50000 0.94170 1.00000
P10 P 0.63110 0.50000 0.27865 1.00000
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