Ac3Zn7Pt4
Alexandria ALEXAlex-ID: agm005695225 · 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
A3B4C7_31_spg12
AcZn4 AcZnPt Ac(Zn2Pt)2
2023-06-29 18:24:36.520859
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005695225).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005695225
data_agm005695225
_cell_length_a 4.29736
_cell_length_b 8.44994
_cell_length_c 9.25262
_cell_angle_alpha 65.76821
_cell_angle_beta 76.57194
_cell_angle_gamma 75.26886
_cell_volume 293.18089
_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 0.29391 0.22709 0.18509 1.00000
Ac2 Ac 0.70609 0.77291 0.81491 1.00000
Ac3 Ac 0.00000 0.50000 0.50000 1.00000
Zn1 Zn 0.31784 0.85090 0.51343 1.00000
Zn2 Zn 0.50725 0.18230 0.80319 1.00000
Zn3 Zn 0.88674 0.34051 0.88601 1.00000
Zn4 Zn 0.68216 0.14910 0.48657 1.00000
Zn5 Zn 0.11326 0.65949 0.11399 1.00000
Zn6 Zn 0.00000 0.00000 0.00000 1.00000
Zn7 Zn 0.49275 0.81770 0.19681 1.00000
Pt1 Pt 0.63910 0.47509 0.24670 1.00000
Pt2 Pt 0.36090 0.52491 0.75330 1.00000
Pt3 Pt 0.88171 0.91718 0.31940 1.00000
Pt4 Pt 0.11829 0.08282 0.68060 1.00000
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