Tm3Al3PtAu2
Alexandria ALEXAlex-ID: agm040403515 · 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
Tm3Al3PtAu2
2025-01-03 23:18:24
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040403515).
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 agm040403515
data_agm040403515
_cell_length_a 7.04480
_cell_length_b 4.41428
_cell_length_c 23.20150
_cell_angle_alpha 90.00000
_cell_angle_beta 90.15368
_cell_angle_gamma 90.00000
_cell_volume 721.51042
_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 0.52128 0.00000 0.93674 1.00000
Tm2 Tm 0.51497 0.00000 0.60475 1.00000
Tm3 Tm 0.51813 0.00000 0.27047 1.00000
Tm4 Tm 0.02039 0.00000 0.89472 1.00000
Tm5 Tm 0.00732 0.00000 0.56633 1.00000
Tm6 Tm 0.00945 0.00000 0.23187 1.00000
Tm7 Tm 0.48727 0.50000 0.73204 1.00000
Tm8 Tm 0.49486 0.50000 0.39812 1.00000
Tm9 Tm 0.49642 0.50000 0.06349 1.00000
Tm10 Tm 0.98730 0.50000 0.76840 1.00000
Tm11 Tm 0.98399 0.50000 0.43473 1.00000
Tm12 Tm 0.98566 0.50000 0.10082 1.00000
Al1 Al 0.66138 0.00000 0.80742 1.00000
Al2 Al 0.67323 0.00000 0.47368 1.00000
Al3 Al 0.67384 0.00000 0.13946 1.00000
Al4 Al 0.16024 0.00000 0.69342 1.00000
Al5 Al 0.16162 0.00000 0.35827 1.00000
Al6 Al 0.16110 0.00000 0.02327 1.00000
Al7 Al 0.33382 0.50000 0.85590 1.00000
Al8 Al 0.32758 0.50000 0.52565 1.00000
Al9 Al 0.32973 0.50000 0.19127 1.00000
Al10 Al 0.83632 0.50000 0.97594 1.00000
Al11 Al 0.82723 0.50000 0.64445 1.00000
Al12 Al 0.83053 0.50000 0.30995 1.00000
Pt1 Pt 0.77730 0.00000 0.70067 1.00000
Pt2 Pt 0.78272 0.00000 0.36636 1.00000
Pt3 Pt 0.78491 0.00000 0.03258 1.00000
Pt4 Pt 0.28023 0.00000 0.79939 1.00000
Au1 Au 0.28014 0.00000 0.46719 1.00000
Au2 Au 0.28102 0.00000 0.13258 1.00000
Au3 Au 0.22423 0.50000 0.96545 1.00000
Au4 Au 0.21498 0.50000 0.63405 1.00000
Au5 Au 0.21999 0.50000 0.30019 1.00000
Au6 Au 0.72068 0.50000 0.86684 1.00000
Au7 Au 0.71435 0.50000 0.53391 1.00000
Au8 Au 0.71579 0.50000 0.19964 1.00000
