Ac7In2Cu3
Alexandria ALEXAlex-ID: agm101522201 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_943_spg1
Ac5In3 Ac AcCu2
2025-05-16 02:46:46
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101522201).
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 agm101522201
data_agm101522201
_cell_length_a 7.01353
_cell_length_b 6.77492
_cell_length_c 10.28468
_cell_angle_alpha 76.67049
_cell_angle_beta 73.48599
_cell_angle_gamma 61.37251
_cell_volume 408.65993
_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 0.83299 0.57371 0.43338 1.00000
Ac2 Ac 0.54033 0.25183 0.30471 1.00000
Ac3 Ac 0.78676 0.70870 0.05129 1.00000
Ac4 Ac 0.21860 0.91474 0.30494 1.00000
Ac5 Ac 0.80651 0.27325 0.81700 1.00000
Ac6 Ac 0.50980 0.94752 0.72634 1.00000
Ac7 Ac 0.20459 0.61096 0.67617 1.00000
In1 In 0.31072 0.66733 0.01795 1.00000
In2 In 0.29633 0.23753 0.00586 1.00000
Cu1 Cu 0.97177 0.08639 0.07512 1.00000
Cu2 Cu 0.83488 0.10249 0.54006 1.00000
Cu3 Cu 0.18673 0.12555 0.54718 1.00000
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