Ti8Al2Pt
Alexandria ALEXAlex-ID: agm003526348 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_287_spg12
Ti3Pt TiAl Ti3Al
2022-03-13 16:10:39.221206
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003526348).
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
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# CIF generated by HEAS from Alexandria entry agm003526348
data_agm003526348
_cell_length_a 4.37193
_cell_length_b 6.77276
_cell_length_c 7.24074
_cell_angle_alpha 114.68553
_cell_angle_beta 107.57163
_cell_angle_gamma 90.00000
_cell_volume 183.73794
_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
Ti1 Ti 0.40917 0.56028 0.81835 1.00000
Ti2 Ti 0.66911 0.90576 0.33823 1.00000
Ti3 Ti 0.83257 0.77100 0.66513 1.00000
Ti4 Ti 0.97394 0.24030 0.94787 1.00000
Ti5 Ti 0.16743 0.22900 0.33487 1.00000
Ti6 Ti 0.33089 0.09424 0.66177 1.00000
Ti7 Ti 0.59083 0.43972 0.18165 1.00000
Ti8 Ti 0.02606 0.75970 0.05213 1.00000
Al1 Al 0.80319 0.34618 0.60638 1.00000
Al2 Al 0.19681 0.65382 0.39362 1.00000
Pt1 Pt 0.50000 0.00000 0.00000 1.00000
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