Tb5Sb2Pt
Alexandria ALEXAlex-ID: agm050387643 · 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
AB2C5_36_spg62
Tb5Sb2Pt
2024-10-09 14:14:00.270369
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm050387643).
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 agm050387643
data_agm050387643
_cell_length_a 8.01041
_cell_length_b 8.95663
_cell_length_c 12.32103
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 883.98781
_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
Tb1 Tb 0.04387 0.25000 0.99926 1.00000
Tb2 Tb 0.95613 0.75000 0.00074 1.00000
Tb3 Tb 0.54387 0.75000 0.50074 1.00000
Tb4 Tb 0.45613 0.25000 0.49926 1.00000
Tb5 Tb 0.31832 0.95429 0.06864 1.00000
Tb6 Tb 0.68168 0.04571 0.93136 1.00000
Tb7 Tb 0.81832 0.04571 0.43136 1.00000
Tb8 Tb 0.68168 0.45429 0.93136 1.00000
Tb9 Tb 0.18168 0.95429 0.56864 1.00000
Tb10 Tb 0.31832 0.54571 0.06864 1.00000
Tb11 Tb 0.18168 0.54571 0.56864 1.00000
Tb12 Tb 0.81832 0.45429 0.43136 1.00000
Tb13 Tb 0.16471 0.25000 0.28812 1.00000
Tb14 Tb 0.83529 0.75000 0.71188 1.00000
Tb15 Tb 0.66471 0.75000 0.21188 1.00000
Tb16 Tb 0.33529 0.25000 0.78812 1.00000
Tb17 Tb 0.63334 0.25000 0.19936 1.00000
Tb18 Tb 0.36666 0.75000 0.80064 1.00000
Tb19 Tb 0.13334 0.75000 0.30064 1.00000
Tb20 Tb 0.86666 0.25000 0.69936 1.00000
Sb1 Sb 0.43384 0.50869 0.32688 1.00000
Sb2 Sb 0.56616 0.49131 0.67312 1.00000
Sb3 Sb 0.93384 0.49131 0.17312 1.00000
Sb4 Sb 0.56616 0.00869 0.67312 1.00000
Sb5 Sb 0.06616 0.50869 0.82688 1.00000
Sb6 Sb 0.43384 0.99131 0.32688 1.00000
Sb7 Sb 0.06616 0.99131 0.82688 1.00000
Sb8 Sb 0.93384 0.00869 0.17312 1.00000
Pt1 Pt 0.42199 0.25000 0.01265 1.00000
Pt2 Pt 0.57801 0.75000 0.98735 1.00000
Pt3 Pt 0.92199 0.75000 0.48735 1.00000
Pt4 Pt 0.07801 0.25000 0.51265 1.00000
