Pm3NiPt3
Alexandria ALEXAlex-ID: agm005963464 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C3_599_spg44
Pm3Pt5 PmNi5 PmPt
2023-08-06 10:33:53.524561
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005963464).
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 agm005963464
data_agm005963464
_cell_length_a 4.33289
_cell_length_b 3.96939
_cell_length_c 9.62438
_cell_angle_alpha 101.90067
_cell_angle_beta 103.00875
_cell_angle_gamma 90.00000
_cell_volume 157.62748
_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 0.31651 0.81651 0.63302 1.00000
Pm2 Pm 0.68575 0.18575 0.37149 1.00000
Pm3 Pm 0.99913 0.99913 0.99826 1.00000
Ni1 Ni 0.42840 0.42840 0.85680 1.00000
Pt1 Pt 0.15449 0.65449 0.30898 1.00000
Pt2 Pt 0.85499 0.35499 0.70999 1.00000
Pt3 Pt 0.56073 0.56073 0.12146 1.00000
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