Al2Ni3Pt
Alexandria ALEXAlex-ID: agm033291680 · 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
AB2C3_2588_spg12
AlNi3 AlPt
2025-04-13 12:16:40
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033291680).
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 agm033291680
data_agm033291680
_cell_length_a 4.42252
_cell_length_b 4.42252
_cell_length_c 10.33779
_cell_angle_alpha 77.19239
_cell_angle_beta 102.80761
_cell_angle_gamma 129.59503
_cell_volume 151.05529
_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
Al1 Al 0.00000 0.00000 0.50000 1.00000
Al2 Al 0.31491 0.68509 0.82523 1.00000
Al3 Al 0.68509 0.31491 0.17477 1.00000
Al4 Al 0.00000 0.00000 0.00000 1.00000
Ni1 Ni 0.32887 0.67113 0.58131 1.00000
Ni2 Ni 0.65464 0.34536 0.92569 1.00000
Ni3 Ni 0.00969 0.99031 0.23776 1.00000
Ni4 Ni 0.99031 0.00969 0.76224 1.00000
Ni5 Ni 0.34536 0.65464 0.07431 1.00000
Ni6 Ni 0.67113 0.32887 0.41869 1.00000
Pt1 Pt 0.34223 0.65777 0.33186 1.00000
Pt2 Pt 0.65777 0.34223 0.66814 1.00000
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