Mn3Cr2Pt7
Alexandria ALEXAlex-ID: agm026800477 · 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
A2B3C7_841_spg1
MnPt2 MnCrPt2 Cr3Pt5
2025-05-15 23:38:26
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm026800477).
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 agm026800477
data_agm026800477
_cell_length_a 4.75845
_cell_length_b 4.75845
_cell_length_c 10.96731
_cell_angle_alpha 74.74555
_cell_angle_beta 105.25445
_cell_angle_gamma 131.36649
_cell_volume 178.43520
_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
Mn1 Mn 0.00000 0.00000 0.50000 1.00000
Mn2 Mn 0.65642 0.34358 0.90825 1.00000
Mn3 Mn 0.34358 0.65642 0.09175 1.00000
Cr1 Cr 0.33826 0.66174 0.58955 1.00000
Cr2 Cr 0.66174 0.33826 0.41045 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
Pt2 Pt 0.32467 0.67533 0.83647 1.00000
Pt3 Pt 0.99260 0.00740 0.74040 1.00000
Pt4 Pt 0.66302 0.33698 0.64969 1.00000
Pt5 Pt 0.67533 0.32467 0.16353 1.00000
Pt6 Pt 0.33698 0.66302 0.35031 1.00000
Pt7 Pt 0.00740 0.99260 0.25960 1.00000
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