Pm2Mg5Zn12
Alexandria ALEXAlex-ID: agm011865565 · 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
A2B5C12_32_spg12
MgZn Mg4Zn7 PmMgZn4
2024-05-29 19:22:05.079127
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011865565).
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
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# CIF generated by HEAS from Alexandria entry agm011865565
data_agm011865565
_cell_length_a 8.12867
_cell_length_b 8.12867
_cell_length_c 5.97787
_cell_angle_alpha 79.67285
_cell_angle_beta 79.67285
_cell_angle_gamma 67.79148
_cell_volume 357.05674
_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
Pm1 Pm 0.20933 0.79067 0.00000 1.00000
Pm2 Pm 0.79067 0.20933 0.00000 1.00000
Mg1 Mg 0.20293 0.20293 0.59466 1.00000
Mg2 Mg 0.37549 0.37549 0.82843 1.00000
Mg3 Mg 0.00000 0.00000 0.50000 1.00000
Mg4 Mg 0.62451 0.62451 0.17157 1.00000
Mg5 Mg 0.79707 0.79707 0.40534 1.00000
Zn1 Zn 0.83898 0.83898 0.88836 1.00000
Zn2 Zn 0.49352 0.05085 0.19884 1.00000
Zn3 Zn 0.05085 0.49352 0.19884 1.00000
Zn4 Zn 0.63465 0.16381 0.51755 1.00000
Zn5 Zn 0.16381 0.63465 0.51755 1.00000
Zn6 Zn 0.40052 0.40052 0.27488 1.00000
Zn7 Zn 0.59948 0.59948 0.72512 1.00000
Zn8 Zn 0.36535 0.83619 0.48245 1.00000
Zn9 Zn 0.83619 0.36535 0.48245 1.00000
Zn10 Zn 0.50648 0.94915 0.80116 1.00000
Zn11 Zn 0.94915 0.50648 0.80116 1.00000
Zn12 Zn 0.16102 0.16102 0.11164 1.00000
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