Ac2ZnAsPt6
Alexandria ALEXAlex-ID: agm004926257 · 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
ABC2D6_393_spg12
AcZn2Pt3 AcAsPt ZnPt AcPt5
2023-01-15 23:31:28.853319
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004926257).
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 agm004926257
data_agm004926257
_cell_length_a 5.57537
_cell_length_b 8.54089
_cell_length_c 6.68894
_cell_angle_alpha 52.68739
_cell_angle_beta 65.36768
_cell_angle_gamma 90.00028
_cell_volume 215.75858
_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 0.73963 0.19998 0.52074 1.00000
Ac2 Ac 0.26037 0.80002 0.47926 1.00000
Zn1 Zn 1.00000 1.00000 0.00000 1.00000
As1 As 0.50000 0.50000 1.00000 1.00000
Pt1 Pt 0.24709 0.38510 0.50583 1.00000
Pt2 Pt 0.74612 0.73720 0.01412 1.00000
Pt3 Pt 0.23979 0.73721 0.01413 1.00000
Pt4 Pt 0.76020 0.26279 0.98587 1.00000
Pt5 Pt 0.25388 0.26280 0.98588 1.00000
Pt6 Pt 0.75290 0.61490 0.49418 1.00000
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