Th2Fe2Ge5Pt
Alexandria ALEXAlex-ID: agm044694216 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D5_56_spg15
ThFeGe3 Th(Fe2Ge3)2 ThGePt
2024-11-01 19:04:20.763134
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044694216).
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 agm044694216
data_agm044694216
_cell_length_a 8.44660
_cell_length_b 8.44660
_cell_length_c 5.96863
_cell_angle_alpha 68.38809
_cell_angle_beta 68.38809
_cell_angle_gamma 92.94594
_cell_volume 359.34300
_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
Th1 Th 0.39938 0.13241 0.74307 1.00000
Th2 Th 0.86759 0.60062 0.75693 1.00000
Th3 Th 0.60062 0.86759 0.25693 1.00000
Th4 Th 0.13241 0.39938 0.24307 1.00000
Fe1 Fe 0.45952 0.73263 0.93696 1.00000
Fe2 Fe 0.26737 0.54048 0.56304 1.00000
Fe3 Fe 0.54048 0.26737 0.06304 1.00000
Fe4 Fe 0.73263 0.45952 0.43696 1.00000
Ge1 Ge 0.72036 0.93693 0.65538 1.00000
Ge2 Ge 0.06307 0.27964 0.84462 1.00000
Ge3 Ge 0.27964 0.06307 0.34462 1.00000
Ge4 Ge 0.93693 0.72036 0.15538 1.00000
Ge5 Ge 0.51220 0.48780 0.25000 1.00000
Ge6 Ge 0.48780 0.51220 0.75000 1.00000
Ge7 Ge 0.22353 0.77647 0.25000 1.00000
Ge8 Ge 0.77647 0.22353 0.75000 1.00000
Ge9 Ge 0.75443 0.24557 0.25000 1.00000
Ge10 Ge 0.24557 0.75443 0.75000 1.00000
Pt1 Pt 0.01025 0.98975 0.25000 1.00000
Pt2 Pt 0.98975 0.01025 0.75000 1.00000
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