Ac3Mg6Sn5
Alexandria ALEXAlex-ID: agm005706281 · 空间群: Pmmn (#59)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B5C6_6_spg59
AcMg3Sn2 Ac(Mg2Sn)2 Ac4Mg5Sn6
2023-06-30 11:22:36.460244
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005706281).
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}
}晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005706281
data_agm005706281
_cell_length_a 4.72481
_cell_length_b 11.57611
_cell_length_c 14.38206
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 786.62582
_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 0.25099 0.66937 1.00000
Ac2 Ac 0.50000 0.74901 0.16937 1.00000
Ac3 Ac 0.50000 0.74901 0.83063 1.00000
Ac4 Ac 0.00000 0.26046 0.00000 1.00000
Ac5 Ac 0.50000 0.73954 0.50000 1.00000
Ac6 Ac 0.00000 0.25099 0.33063 1.00000
Mg1 Mg 0.00000 0.99696 0.83818 1.00000
Mg2 Mg 0.50000 0.00304 0.66182 1.00000
Mg3 Mg 0.50000 0.39681 0.82268 1.00000
Mg4 Mg 0.50000 0.52227 0.00000 1.00000
Mg5 Mg 0.00000 0.47773 0.50000 1.00000
Mg6 Mg 0.00000 0.60319 0.67732 1.00000
Mg7 Mg 0.00000 0.60319 0.32268 1.00000
Mg8 Mg 0.50000 0.99582 0.00000 1.00000
Mg9 Mg 0.00000 0.99696 0.16182 1.00000
Mg10 Mg 0.50000 0.39681 0.17732 1.00000
Mg11 Mg 0.00000 0.00418 0.50000 1.00000
Mg12 Mg 0.50000 0.00304 0.33818 1.00000
Sn1 Sn 0.00000 0.52780 0.87164 1.00000
Sn2 Sn 0.00000 0.85147 0.66542 1.00000
Sn3 Sn 0.00000 0.83071 0.00000 1.00000
Sn4 Sn 0.50000 0.47220 0.62836 1.00000
Sn5 Sn 0.50000 0.16929 0.50000 1.00000
Sn6 Sn 0.00000 0.52780 0.12836 1.00000
Sn7 Sn 0.50000 0.47220 0.37164 1.00000
Sn8 Sn 0.00000 0.85147 0.33458 1.00000
Sn9 Sn 0.50000 0.14853 0.83458 1.00000
Sn10 Sn 0.50000 0.14853 0.16542 1.00000
