Tm5Al3Ge4Pd3
Alexandria ALEXAlex-ID: agm016729327 · 空间群: Pmmn (#59)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B3C4D5_1_spg59
Tm5Al3Ge4Pd3
2024-09-25 12:19:23.016265
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm016729327).
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 agm016729327
data_agm016729327
_cell_length_a 4.23606
_cell_length_b 6.91436
_cell_length_c 19.65571
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 575.70897
_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 0.50000 0.49395 0.12958 1.00000
Tm2 Tm 0.00000 0.01649 0.32275 1.00000
Tm3 Tm 0.50000 0.98351 0.17725 1.00000
Tm4 Tm 0.00000 0.13361 0.50000 1.00000
Tm5 Tm 0.50000 0.86639 0.00000 1.00000
Tm6 Tm 0.50000 0.98351 0.82275 1.00000
Tm7 Tm 0.00000 0.50605 0.37042 1.00000
Tm8 Tm 0.50000 0.49395 0.87042 1.00000
Tm9 Tm 0.00000 0.01649 0.67725 1.00000
Tm10 Tm 0.00000 0.50605 0.62958 1.00000
Al1 Al 0.00000 0.16727 0.07265 1.00000
Al2 Al 0.00000 0.16727 0.92735 1.00000
Al3 Al 0.50000 0.48263 0.50000 1.00000
Al4 Al 0.00000 0.51737 0.00000 1.00000
Al5 Al 0.50000 0.83273 0.42735 1.00000
Al6 Al 0.50000 0.83273 0.57265 1.00000
Ge1 Ge 0.00000 0.78076 0.10045 1.00000
Ge2 Ge 0.00000 0.26935 0.79715 1.00000
Ge3 Ge 0.50000 0.73065 0.70285 1.00000
Ge4 Ge 0.50000 0.21924 0.60045 1.00000
Ge5 Ge 0.50000 0.21924 0.39955 1.00000
Ge6 Ge 0.50000 0.73065 0.29715 1.00000
Ge7 Ge 0.00000 0.26935 0.20285 1.00000
Ge8 Ge 0.00000 0.78076 0.89955 1.00000
Pd1 Pd 0.50000 0.34430 0.27542 1.00000
Pd2 Pd 0.00000 0.65570 0.22458 1.00000
Pd3 Pd 0.00000 0.71682 0.50000 1.00000
Pd4 Pd 0.50000 0.34430 0.72458 1.00000
Pd5 Pd 0.50000 0.28318 0.00000 1.00000
Pd6 Pd 0.00000 0.65570 0.77542 1.00000
