Ac3Al7In2
Alexandria ALEXAlex-ID: agm024285358 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_3_spg166
AcAl4 Ac3Al8 AcIn3
2025-05-15 09:45:35
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024285358).
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 agm024285358
data_agm024285358
_cell_length_a 6.00695
_cell_length_b 6.00695
_cell_length_c 9.96218
_cell_angle_alpha 72.32290
_cell_angle_beta 107.67710
_cell_angle_gamma 120.06239
_cell_volume 291.37572
_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 0.00000 0.00000 0.00000 1.00000
Ac2 Ac 0.85971 0.14029 0.57924 1.00000
Ac3 Ac 0.14029 0.85971 0.42076 1.00000
Al1 Al 0.50000 0.50000 0.50000 1.00000
Al2 Al 0.40925 0.07440 0.74372 1.00000
Al3 Al 0.92560 0.59075 0.74372 1.00000
Al4 Al 0.40921 0.59079 0.74393 1.00000
Al5 Al 0.59075 0.92560 0.25628 1.00000
Al6 Al 0.59079 0.40921 0.25607 1.00000
Al7 Al 0.07440 0.40925 0.25628 1.00000
In1 In 0.66278 0.33722 0.98891 1.00000
In2 In 0.33722 0.66278 0.01109 1.00000
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