Tm5(Fe2Ge7)2
Alexandria ALEXAlex-ID: agm008207756 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B5C14_0_spg14
Tm5(Fe2Ge7)2
2024-11-07 08:48:06.227199
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008207756).
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 agm008207756
data_agm008207756
_cell_length_a 8.05695
_cell_length_b 8.02003
_cell_length_c 12.69177
_cell_angle_alpha 81.09880
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 810.22699
_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
Tm1 Tm 0.00000 0.00000 0.50000 1.00000
Tm2 Tm 0.50000 0.50000 0.50000 1.00000
Tm3 Tm 0.25388 0.84502 0.13467 1.00000
Tm4 Tm 0.75388 0.65498 0.86533 1.00000
Tm5 Tm 0.74612 0.15498 0.86533 1.00000
Tm6 Tm 0.24612 0.34502 0.13467 1.00000
Tm7 Tm 0.24633 0.16278 0.86601 1.00000
Tm8 Tm 0.74633 0.33722 0.13399 1.00000
Tm9 Tm 0.75367 0.83722 0.13399 1.00000
Tm10 Tm 0.25367 0.66278 0.86601 1.00000
Fe1 Fe 0.37719 0.12416 0.50032 1.00000
Fe2 Fe 0.87719 0.37584 0.49968 1.00000
Fe3 Fe 0.62281 0.87584 0.49968 1.00000
Fe4 Fe 0.12281 0.62416 0.50032 1.00000
Fe5 Fe 0.99998 0.06170 0.24675 1.00000
Fe6 Fe 0.49998 0.43830 0.75325 1.00000
Fe7 Fe 0.00002 0.93830 0.75325 1.00000
Fe8 Fe 0.50002 0.56170 0.24675 1.00000
Ge1 Ge 0.67100 0.16970 0.50031 1.00000
Ge2 Ge 0.17100 0.33030 0.49969 1.00000
Ge3 Ge 0.32900 0.83030 0.49969 1.00000
Ge4 Ge 0.82900 0.66970 0.50031 1.00000
Ge5 Ge 0.49975 0.10639 0.06704 1.00000
Ge6 Ge 0.99975 0.39361 0.93296 1.00000
Ge7 Ge 0.50025 0.89361 0.93296 1.00000
Ge8 Ge 0.00025 0.60639 0.06704 1.00000
Ge9 Ge 0.00860 0.77400 0.31913 1.00000
Ge10 Ge 0.50860 0.72600 0.68087 1.00000
Ge11 Ge 0.99140 0.22600 0.68087 1.00000
Ge12 Ge 0.49140 0.27400 0.31913 1.00000
Ge13 Ge 0.99122 0.31450 0.31868 1.00000
Ge14 Ge 0.49122 0.18550 0.68132 1.00000
Ge15 Ge 0.00878 0.68550 0.68132 1.00000
Ge16 Ge 0.50878 0.81450 0.31868 1.00000
Ge17 Ge 0.27035 0.05358 0.31866 1.00000
Ge18 Ge 0.77035 0.44642 0.68134 1.00000
Ge19 Ge 0.72965 0.94642 0.68134 1.00000
Ge20 Ge 0.22965 0.55358 0.31866 1.00000
Ge21 Ge 0.72994 0.03618 0.31893 1.00000
Ge22 Ge 0.22994 0.46382 0.68107 1.00000
Ge23 Ge 0.27006 0.96382 0.68107 1.00000
Ge24 Ge 0.77006 0.53618 0.31893 1.00000
Ge25 Ge 0.99898 0.10981 0.06280 1.00000
Ge26 Ge 0.49898 0.39019 0.93720 1.00000
Ge27 Ge 0.00102 0.89019 0.93720 1.00000
Ge28 Ge 0.50102 0.60981 0.06280 1.00000
