Ac3Mg7Al4
Alexandria ALEXAlex-ID: agm005705174 · 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
Ac2Mg17 AcMg2 AcAl2
2023-06-29 16:42:13.739698
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705174).
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 agm005705174
data_agm005705174
_cell_length_a 4.84876
_cell_length_b 9.22645
_cell_length_c 9.31242
_cell_angle_alpha 69.02152
_cell_angle_beta 74.90984
_cell_angle_gamma 74.76584
_cell_volume 368.87722
_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 0.29765 0.19525 0.20945 1.00000
Ac2 Ac 0.70235 0.80475 0.79055 1.00000
Ac3 Ac 0.00000 0.50000 0.50000 1.00000
Mg1 Mg 0.33084 0.82034 0.51798 1.00000
Mg2 Mg 0.49642 0.20355 0.80361 1.00000
Mg3 Mg 0.84302 0.38785 0.92610 1.00000
Mg4 Mg 0.66916 0.17966 0.48202 1.00000
Mg5 Mg 0.15698 0.61215 0.07390 1.00000
Mg6 Mg 0.00000 0.00000 0.00000 1.00000
Mg7 Mg 0.50358 0.79645 0.19639 1.00000
Al1 Al 0.65363 0.46683 0.22591 1.00000
Al2 Al 0.34637 0.53317 0.77409 1.00000
Al3 Al 0.87069 0.91306 0.34555 1.00000
Al4 Al 0.12931 0.08694 0.65445 1.00000
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