AcTmPt
Alexandria ALEXAlex-ID: agm005668076 · 空间群: P4/nmm (#129)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_17_spg129
Ac7Pt3 Tm2Pt Ac3Pt2
2023-06-18 13:23:20.785180
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005668076).
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 agm005668076
data_agm005668076
_cell_length_a 4.87769
_cell_length_b 4.87776
_cell_length_c 7.27064
_cell_angle_alpha 89.99935
_cell_angle_beta 89.99977
_cell_angle_gamma 90.00061
_cell_volume 172.98441
_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
Ac1 Ac 0.98038 0.99297 0.49878 1.00000
Ac2 Ac 0.48038 0.49297 0.25885 1.00000
Tm1 Tm 0.48059 0.99284 0.87879 1.00000
Tm2 Tm 0.98061 0.49282 0.87884 1.00000
Pt1 Pt 0.98063 0.99282 0.08445 1.00000
Pt2 Pt 0.48061 0.49281 0.67320 1.00000
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