Pr2MnInPt6
Alexandria ALEXAlex-ID: agm004941576 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_453_spg148
Pr3InPt8 Mn5InPt6 PrInPt2 Pr15Pt32
2023-01-14 09:28:53.015602
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004941576).
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 agm004941576
data_agm004941576
_cell_length_a 5.65565
_cell_length_b 9.02819
_cell_length_c 9.02734
_cell_angle_alpha 36.50889
_cell_angle_beta 71.74791
_cell_angle_gamma 90.00222
_cell_volume 233.15013
_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
Pr1 Pr 0.20171 0.79835 0.59661 1.00000
Pr2 Pr 0.79829 0.20165 0.40339 1.00000
Mn1 Mn 0.50000 0.50000 0.00000 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.25534 0.74465 0.98627 1.00000
Pt2 Pt 0.75838 0.74460 0.98635 1.00000
Pt3 Pt 0.25530 0.24160 0.48938 1.00000
Pt4 Pt 0.74466 0.25535 0.01373 1.00000
Pt5 Pt 0.24162 0.25540 0.01365 1.00000
Pt6 Pt 0.74470 0.75840 0.51062 1.00000
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