CoNi2Pt5Rh
Alexandria ALEXAlex-ID: agm005175928 · 空间群: I4/mcm (#140)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_205_spg140
CoNiPt4 PtRh6 CoPt2 NiPt
2023-01-20 01:32:27.106553
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005175928).
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 agm005175928
data_agm005175928
_cell_length_a 5.93165
_cell_length_b 5.93165
_cell_length_c 8.73318
_cell_angle_alpha 109.85277
_cell_angle_beta 109.85277
_cell_angle_gamma 90.00000
_cell_volume 269.51491
_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
Co1 Co 0.25000 0.25000 0.50000 1.00000
Co2 Co 0.75000 0.75000 0.50000 1.00000
Ni1 Ni 0.12251 0.37749 0.00000 1.00000
Ni2 Ni 0.62251 0.12251 0.00000 1.00000
Ni3 Ni 0.37749 0.87749 1.00000 1.00000
Ni4 Ni 0.87749 0.62251 0.00000 1.00000
Pt1 Pt 0.90315 0.40315 0.27740 1.00000
Pt2 Pt 0.62574 0.12574 0.72260 1.00000
Pt3 Pt 0.09685 0.59685 0.72260 1.00000
Pt4 Pt 0.12574 0.09685 0.72260 1.00000
Pt5 Pt 0.59685 0.62574 0.72260 1.00000
Pt6 Pt 0.87426 0.90315 0.27740 1.00000
Pt7 Pt 0.40315 0.37426 0.27740 1.00000
Pt8 Pt 0.37426 0.87426 0.27740 1.00000
Pt9 Pt 0.50000 0.50000 0.00000 1.00000
Pt10 Pt 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.25000 0.75000 0.50000 1.00000
Rh2 Rh 0.75000 0.25000 0.50000 1.00000
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