AcMg2ZnPt
Alexandria ALEXAlex-ID: agm079178136 · 空间群: I4mm (#107)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD2_3_spg107
Ac(Mg2Pt)2 AcMgZn4 AcMg2Pt AcMgPt
2025-01-09 17:38:41
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079178136).
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 agm079178136
data_agm079178136
_cell_length_a 4.33666
_cell_length_b 4.33666
_cell_length_c 6.91391
_cell_angle_alpha 71.71265
_cell_angle_beta 108.28735
_cell_angle_gamma 89.98080
_cell_volume 116.51865
_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 0.87850 0.12150 0.86903 1.00000
Mg1 Mg 0.63832 0.86164 0.39082 1.00000
Mg2 Mg 0.13836 0.36168 0.39082 1.00000
Zn1 Zn 0.49206 0.50794 0.09537 1.00000
Pt1 Pt 0.27735 0.72265 0.66927 1.00000
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