Ac3(As2Pt)2
Alexandria ALEXAlex-ID: agm003338017 · 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
A2B3C4_277_spg12
AcAsPt AcAs As2Pt
2022-01-27 00:11:13.066940
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003338017).
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 agm003338017
data_agm003338017
_cell_length_a 4.52281
_cell_length_b 6.38787
_cell_length_c 8.98651
_cell_angle_alpha 104.60229
_cell_angle_beta 90.00000
_cell_angle_gamma 110.73310
_cell_volume 233.82817
_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 0.67023 0.34046 0.68187 1.00000
Ac2 Ac 0.00000 0.00000 0.00000 1.00000
Ac3 Ac 0.32977 0.65954 0.31813 1.00000
As1 As 0.69923 0.39847 0.08984 1.00000
As2 As 0.30077 0.60153 0.91016 1.00000
As3 As 0.93321 0.86643 0.60055 1.00000
As4 As 0.06679 0.13357 0.39945 1.00000
Pt1 Pt 0.59126 0.18251 0.29935 1.00000
Pt2 Pt 0.40874 0.81749 0.70065 1.00000
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