Pa2PtRh2
Alexandria ALEXAlex-ID: agm005882895 · 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
AB2C2_106_spg139
Pa3Rh4 Pa3Pt3Rh PaRh2
2023-08-04 06:44:04.606443
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005882895).
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 agm005882895
data_agm005882895
_cell_length_a 3.86414
_cell_length_b 3.86411
_cell_length_c 7.24501
_cell_angle_alpha 77.29422
_cell_angle_beta 77.29659
_cell_angle_gamma 89.86853
_cell_volume 102.82557
_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
Pa1 Pa 0.61818 0.61817 0.78931 1.00000
Pa2 Pa 0.38182 0.38183 0.21069 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.75158 0.24842 0.50000 1.00000
Rh2 Rh 0.24842 0.75158 0.50000 1.00000
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