Co2(PtRh)5
Alexandria ALEXAlex-ID: agm005662972 · 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
A2B5C5_18_spg12
PtRh6 PtRh2 CoPt2
2023-06-18 21:47:45.719469
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005662972).
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 agm005662972
data_agm005662972
_cell_length_a 3.85522
_cell_length_b 6.10417
_cell_length_c 8.20648
_cell_angle_alpha 72.53639
_cell_angle_beta 76.41495
_cell_angle_gamma 71.59176
_cell_volume 172.68692
_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 0.91539 0.41907 0.75016 1.00000
Co2 Co 0.08461 0.58093 0.24984 1.00000
Pt1 Pt 0.50000 0.50000 0.50000 1.00000
Pt2 Pt 0.33321 0.33424 0.99935 1.00000
Pt3 Pt 0.41929 0.90962 0.25180 1.00000
Pt4 Pt 0.58071 0.09038 0.74820 1.00000
Pt5 Pt 0.66679 0.66576 0.00065 1.00000
Rh1 Rh 0.83306 0.83186 0.50202 1.00000
Rh2 Rh 0.25569 0.74221 0.74640 1.00000
Rh3 Rh 0.74431 0.25779 0.25360 1.00000
Rh4 Rh 0.16694 0.16814 0.49798 1.00000
Rh5 Rh 0.00000 0.00000 0.00000 1.00000
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