Tc15Sb4
Alexandria ALEXAlex-ID: agm073024062 · 空间群: I-43d (#220)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B15_2_spg220
Tc3Sb4 Tc
2024-10-20 07:41:55
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm073024062).
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 agm073024062
data_agm073024062
_cell_length_a 9.20970
_cell_length_b 9.20970
_cell_length_c 9.20970
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 601.33322
_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
Tc1 Tc 0.70922 0.07238 0.92641 1.00000
Tc2 Tc 0.75000 0.87500 0.12500 1.00000
Tc3 Tc 0.13684 0.85403 0.42762 1.00000
Tc4 Tc 0.71719 0.36316 0.79078 1.00000
Tc5 Tc 0.57359 0.64597 0.78281 1.00000
Tc6 Tc 0.21719 0.29078 0.86316 1.00000
Tc7 Tc 0.79078 0.71719 0.36316 1.00000
Tc8 Tc 0.35403 0.63684 0.92762 1.00000
Tc9 Tc 0.07359 0.28281 0.14597 1.00000
Tc10 Tc 0.92641 0.70922 0.07238 1.00000
Tc11 Tc 0.42762 0.13684 0.85403 1.00000
Tc12 Tc 0.29078 0.86316 0.21719 1.00000
Tc13 Tc 0.12500 0.75000 0.87500 1.00000
Tc14 Tc 0.36316 0.79078 0.71719 1.00000
Tc15 Tc 0.37500 0.25000 0.62500 1.00000
Tc16 Tc 0.14597 0.07359 0.28281 1.00000
Tc17 Tc 0.92762 0.35403 0.63684 1.00000
Tc18 Tc 0.42641 0.57238 0.20922 1.00000
Tc19 Tc 0.63684 0.92762 0.35403 1.00000
Tc20 Tc 0.62500 0.37500 0.25000 1.00000
Tc21 Tc 0.07238 0.92641 0.70922 1.00000
Tc22 Tc 0.85403 0.42762 0.13684 1.00000
Tc23 Tc 0.86316 0.21719 0.29078 1.00000
Tc24 Tc 0.78281 0.57359 0.64597 1.00000
Tc25 Tc 0.57238 0.20922 0.42641 1.00000
Tc26 Tc 0.64597 0.78281 0.57359 1.00000
Tc27 Tc 0.20922 0.42641 0.57238 1.00000
Tc28 Tc 0.25000 0.62500 0.37500 1.00000
Tc29 Tc 0.28281 0.14597 0.07359 1.00000
Tc30 Tc 0.87500 0.12500 0.75000 1.00000
Sb1 Sb 0.50000 1.00000 0.58081 1.00000
Sb2 Sb 1.00000 0.58081 0.50000 1.00000
Sb3 Sb 0.50000 1.00000 0.08081 1.00000
Sb4 Sb 0.41919 0.41919 0.41919 1.00000
Sb5 Sb 0.91919 0.91919 0.91919 1.00000
Sb6 Sb 1.00000 0.08081 0.50000 1.00000
Sb7 Sb 0.08081 0.50000 1.00000 1.00000
Sb8 Sb 0.58081 0.50000 1.00000 1.00000
