Hf2MgPt6
Alexandria ALEXAlex-ID: agm003487776 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_809_spg71
HfMg2Pt3 HfPt3
2022-02-28 14:16:10.880333
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003487776).
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 agm003487776
data_agm003487776
_cell_length_a 4.01382
_cell_length_b 7.50185
_cell_length_c 7.19780
_cell_angle_alpha 121.40748
_cell_angle_beta 106.20784
_cell_angle_gamma 90.00000
_cell_volume 174.80610
_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
Hf1 Hf 0.66387 0.66389 0.32777 1.00000
Hf2 Hf 0.33613 0.33611 0.67223 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.16474 0.41782 0.32943 1.00000
Pt2 Pt 0.83526 0.08839 0.67057 1.00000
Pt3 Pt 0.83526 0.58218 0.67057 1.00000
Pt4 Pt 0.50000 0.24798 0.00000 1.00000
Pt5 Pt 0.16474 0.91161 0.32943 1.00000
Pt6 Pt 0.50000 0.75202 1.00000 1.00000
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