Tm5Pb4
Alexandria ALEXAlex-ID: agm005236735 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B5_11_spg62
Tm5Pb4
2024-10-08 16:50:31
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005236735).
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 agm005236735
data_agm005236735
_cell_length_a 8.13093
_cell_length_b 8.17261
_cell_length_c 15.43786
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1025.85915
_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 0.37954 0.84410 0.87900 1.00000
Tm2 Tm 0.87954 0.65590 0.62100 1.00000
Tm3 Tm 0.62046 0.15590 0.37900 1.00000
Tm4 Tm 0.12046 0.34410 0.12100 1.00000
Tm5 Tm 0.62046 0.15590 0.12100 1.00000
Tm6 Tm 0.12046 0.34410 0.37900 1.00000
Tm7 Tm 0.37954 0.84410 0.62100 1.00000
Tm8 Tm 0.87954 0.65590 0.87900 1.00000
Tm9 Tm 0.54207 0.32517 0.90004 1.00000
Tm10 Tm 0.04207 0.17483 0.59996 1.00000
Tm11 Tm 0.45793 0.67483 0.40004 1.00000
Tm12 Tm 0.95793 0.82517 0.09996 1.00000
Tm13 Tm 0.45793 0.67483 0.09996 1.00000
Tm14 Tm 0.95793 0.82517 0.40004 1.00000
Tm15 Tm 0.54207 0.32517 0.59996 1.00000
Tm16 Tm 0.04207 0.17483 0.90004 1.00000
Tm17 Tm 0.21291 0.50461 0.75000 1.00000
Tm18 Tm 0.71291 0.99539 0.75000 1.00000
Tm19 Tm 0.78709 0.49539 0.25000 1.00000
Tm20 Tm 0.28709 0.00461 0.25000 1.00000
Pb1 Pb 0.27918 0.03263 0.04324 1.00000
Pb2 Pb 0.77918 0.46737 0.45676 1.00000
Pb3 Pb 0.72082 0.96737 0.54324 1.00000
Pb4 Pb 0.22082 0.53263 0.95676 1.00000
Pb5 Pb 0.72082 0.96737 0.95676 1.00000
Pb6 Pb 0.22082 0.53263 0.54324 1.00000
Pb7 Pb 0.27918 0.03263 0.45676 1.00000
Pb8 Pb 0.77918 0.46737 0.04324 1.00000
Pb9 Pb 0.57379 0.62526 0.75000 1.00000
Pb10 Pb 0.07379 0.87474 0.75000 1.00000
Pb11 Pb 0.42621 0.37474 0.25000 1.00000
Pb12 Pb 0.92621 0.12526 0.25000 1.00000
Pb13 Pb 0.35389 0.15456 0.75000 1.00000
Pb14 Pb 0.85389 0.34544 0.75000 1.00000
Pb15 Pb 0.64611 0.84544 0.25000 1.00000
Pb16 Pb 0.14611 0.65456 0.25000 1.00000
