Tm4Ge5Os9
Alexandria ALEXAlex-ID: agm008565764 · 空间群: P6_3/mmc (#194)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B5C9_1_spg194
TmGeOs TmGe2Os Os
2024-05-29 04:27:25.223714
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008565764).
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 agm008565764
data_agm008565764
_cell_length_a 5.49582
_cell_length_b 5.49582
_cell_length_c 23.93503
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 626.08008
_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 0.33333 0.66667 0.52848 1.00000
Tm2 Tm 0.66667 0.33333 0.47152 1.00000
Tm3 Tm 0.66667 0.33333 0.02848 1.00000
Tm4 Tm 0.33333 0.66667 0.97152 1.00000
Tm5 Tm 0.33333 0.66667 0.67629 1.00000
Tm6 Tm 0.66667 0.33333 0.32371 1.00000
Tm7 Tm 0.66667 0.33333 0.17629 1.00000
Tm8 Tm 0.33333 0.66667 0.82371 1.00000
Ge1 Ge 0.00000 0.00000 0.00000 1.00000
Ge2 Ge 0.00000 0.00000 0.50000 1.00000
Ge3 Ge 0.33333 0.66667 0.16966 1.00000
Ge4 Ge 0.66667 0.33333 0.83034 1.00000
Ge5 Ge 0.66667 0.33333 0.66966 1.00000
Ge6 Ge 0.33333 0.66667 0.33034 1.00000
Ge7 Ge 0.00000 0.00000 0.16540 1.00000
Ge8 Ge 0.00000 0.00000 0.83460 1.00000
Ge9 Ge 0.00000 0.00000 0.66540 1.00000
Ge10 Ge 0.00000 0.00000 0.33460 1.00000
Os1 Os 0.17185 0.34371 0.08459 1.00000
Os2 Os 0.82815 0.65629 0.91541 1.00000
Os3 Os 0.65629 0.82815 0.08459 1.00000
Os4 Os 0.82815 0.65629 0.58459 1.00000
Os5 Os 0.34371 0.17185 0.91541 1.00000
Os6 Os 0.17185 0.34371 0.41541 1.00000
Os7 Os 0.17185 0.82815 0.08459 1.00000
Os8 Os 0.34371 0.17185 0.58459 1.00000
Os9 Os 0.82815 0.17185 0.91541 1.00000
Os10 Os 0.65629 0.82815 0.41541 1.00000
Os11 Os 0.82815 0.17185 0.58459 1.00000
Os12 Os 0.17185 0.82815 0.41541 1.00000
Os13 Os 0.16414 0.32829 0.25000 1.00000
Os14 Os 0.83586 0.67171 0.75000 1.00000
Os15 Os 0.67171 0.83586 0.25000 1.00000
Os16 Os 0.32829 0.16414 0.75000 1.00000
Os17 Os 0.16414 0.83586 0.25000 1.00000
Os18 Os 0.83586 0.16414 0.75000 1.00000
