TbSc2Al3
Alexandria ALEXAlex-ID: agm033442952 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2913_spg63
Tb2ScAl3 ScAl
2025-04-13 12:53:34
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033442952).
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 agm033442952
data_agm033442952
_cell_length_a 15.26721
_cell_length_b 15.26721
_cell_length_c 4.92617
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 154.37177
_cell_volume 496.64389
_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 0.79651 0.20349 0.75000 1.00000
Tb2 Tb 0.20349 0.79651 0.25000 1.00000
Tb3 Tb 0.03922 0.96078 0.25000 1.00000
Tb4 Tb 0.96078 0.03922 0.75000 1.00000
Sc1 Sc 0.87345 0.12655 0.25000 1.00000
Sc2 Sc 0.29300 0.70700 0.75000 1.00000
Sc3 Sc 0.70700 0.29300 0.25000 1.00000
Sc4 Sc 0.12655 0.87345 0.75000 1.00000
Sc5 Sc 0.63195 0.36805 0.75000 1.00000
Sc6 Sc 0.53588 0.46412 0.25000 1.00000
Sc7 Sc 0.46412 0.53588 0.75000 1.00000
Sc8 Sc 0.36805 0.63195 0.25000 1.00000
Al1 Al 0.53299 0.95536 0.25000 1.00000
Al2 Al 0.04464 0.46701 0.25000 1.00000
Al3 Al 0.46701 0.04464 0.75000 1.00000
Al4 Al 0.95536 0.53299 0.75000 1.00000
Al5 Al 0.39318 0.15201 0.25000 1.00000
Al6 Al 0.84799 0.60682 0.25000 1.00000
Al7 Al 0.77536 0.67736 0.75000 1.00000
Al8 Al 0.32264 0.22464 0.75000 1.00000
Al9 Al 0.22464 0.32264 0.25000 1.00000
Al10 Al 0.67736 0.77536 0.25000 1.00000
Al11 Al 0.60682 0.84799 0.75000 1.00000
Al12 Al 0.15201 0.39318 0.75000 1.00000
