Tb3Al3IrPt2
Alexandria ALEXAlex-ID: agm033405984 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D3_12_spg6
Tb3Al3IrPt2
2024-12-15 10:08:52
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033405984).
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 agm033405984
data_agm033405984
_cell_length_a 6.86081
_cell_length_b 4.40827
_cell_length_c 23.50743
_cell_angle_alpha 90.00000
_cell_angle_beta 90.02283
_cell_angle_gamma 90.00000
_cell_volume 710.96655
_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 0.53331 0.00000 0.94005 1.00000
Tb2 Tb 0.53481 0.00000 0.60763 1.00000
Tb3 Tb 0.53489 0.00000 0.27395 1.00000
Tb4 Tb 0.03341 0.00000 0.89233 1.00000
Tb5 Tb 0.03176 0.00000 0.56078 1.00000
Tb6 Tb 0.03143 0.00000 0.22687 1.00000
Tb7 Tb 0.47071 0.50000 0.72755 1.00000
Tb8 Tb 0.47431 0.50000 0.39346 1.00000
Tb9 Tb 0.47360 0.50000 0.05987 1.00000
Tb10 Tb 0.97077 0.50000 0.77258 1.00000
Tb11 Tb 0.96671 0.50000 0.43905 1.00000
Tb12 Tb 0.96587 0.50000 0.10541 1.00000
Al1 Al 0.63903 0.00000 0.81143 1.00000
Al2 Al 0.64402 0.00000 0.47878 1.00000
Al3 Al 0.64310 0.00000 0.14541 1.00000
Al4 Al 0.13963 0.00000 0.68863 1.00000
Al5 Al 0.13860 0.00000 0.35419 1.00000
Al6 Al 0.13705 0.00000 0.02063 1.00000
Al7 Al 0.35561 0.50000 0.85340 1.00000
Al8 Al 0.35927 0.50000 0.52053 1.00000
Al9 Al 0.35809 0.50000 0.18725 1.00000
Al10 Al 0.85646 0.50000 0.97967 1.00000
Al11 Al 0.85659 0.50000 0.64689 1.00000
Al12 Al 0.85690 0.50000 0.31334 1.00000
Ir1 Ir 0.76923 0.00000 0.70574 1.00000
Ir2 Ir 0.76893 0.00000 0.37288 1.00000
Ir3 Ir 0.76739 0.00000 0.03975 1.00000
Ir4 Ir 0.26866 0.00000 0.79413 1.00000
Pt1 Pt 0.27155 0.00000 0.46052 1.00000
Pt2 Pt 0.27109 0.00000 0.12727 1.00000
Pt3 Pt 0.22873 0.50000 0.96055 1.00000
Pt4 Pt 0.23002 0.50000 0.62631 1.00000
Pt5 Pt 0.22963 0.50000 0.29360 1.00000
Pt6 Pt 0.72896 0.50000 0.87321 1.00000
Pt7 Pt 0.73022 0.50000 0.53979 1.00000
Pt8 Pt 0.72966 0.50000 0.20654 1.00000
