Mg(Zn4Pt3)2
Alexandria ALEXAlex-ID: agm006042016 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_45_spg148
MgZn2Pt3 Zn2Pt
2023-08-31 07:54:15.394600
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006042016).
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 agm006042016
data_agm006042016
_cell_length_a 6.76791
_cell_length_b 6.76791
_cell_length_c 6.76790
_cell_angle_alpha 66.97814
_cell_angle_beta 66.97814
_cell_angle_gamma 66.97814
_cell_volume 251.99696
_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
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.20833 0.55533 0.87935 1.00000
Zn2 Zn 0.12065 0.79167 0.44467 1.00000
Zn3 Zn 0.44467 0.12065 0.79167 1.00000
Zn4 Zn 0.66513 0.66513 0.66513 1.00000
Zn5 Zn 0.33487 0.33487 0.33487 1.00000
Zn6 Zn 0.55533 0.87935 0.20833 1.00000
Zn7 Zn 0.87935 0.20833 0.55533 1.00000
Zn8 Zn 0.79167 0.44467 0.12065 1.00000
Pt1 Pt 0.05128 0.39153 0.71394 1.00000
Pt2 Pt 0.28606 0.94872 0.60847 1.00000
Pt3 Pt 0.60847 0.28606 0.94872 1.00000
Pt4 Pt 0.39153 0.71394 0.05128 1.00000
Pt5 Pt 0.71394 0.05128 0.39153 1.00000
Pt6 Pt 0.94872 0.60847 0.28606 1.00000
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