Ac6Al2Pb
Alexandria ALEXAlex-ID: agm005808074 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_160_spg71
Ac5Pb3 AcAl2 Ac
2023-07-06 10:25:45.760428
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005808074).
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 agm005808074
data_agm005808074
_cell_length_a 9.61803
_cell_length_b 9.61803
_cell_length_c 9.61803
_cell_angle_alpha 106.14483
_cell_angle_beta 110.97068
_cell_angle_gamma 111.34873
_cell_volume 683.18891
_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 0.54577 0.72639 0.81938 1.00000
Ac2 Ac 0.45423 0.27361 0.18062 1.00000
Ac3 Ac 0.09299 0.27361 0.81938 1.00000
Ac4 Ac 0.90701 0.72639 0.18062 1.00000
Ac5 Ac 0.79678 0.75880 0.55557 1.00000
Ac6 Ac 0.20322 0.24120 0.44443 1.00000
Ac7 Ac 0.20322 0.75880 0.96202 1.00000
Ac8 Ac 0.79678 0.24120 0.03798 1.00000
Ac9 Ac 0.70640 0.38208 0.67568 1.00000
Ac10 Ac 0.29360 0.61792 0.32432 1.00000
Ac11 Ac 0.29360 0.96929 0.67568 1.00000
Ac12 Ac 0.70640 0.03071 0.32432 1.00000
Al1 Al 0.50000 0.38498 0.88498 1.00000
Al2 Al 0.50000 0.61502 0.11502 1.00000
Al3 Al 0.62879 1.00000 0.62879 1.00000
Al4 Al 0.37121 0.00000 0.37121 1.00000
Pb1 Pb 0.00000 0.50000 0.50000 1.00000
Pb2 Pb 0.00000 0.00000 0.00000 1.00000
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