Pr4OsPd
Alexandria ALEXAlex-ID: agm005809760 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_1160_spg15
Pr3Os PrPd
2023-07-31 01:50:55.618828
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005809760).
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 agm005809760
data_agm005809760
_cell_length_a 6.43373
_cell_length_b 7.76216
_cell_length_c 7.76217
_cell_angle_alpha 112.83564
_cell_angle_beta 98.02082
_cell_angle_gamma 98.02079
_cell_volume 345.70360
_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 0.92824 0.62330 0.77264 1.00000
Pr2 Pr 0.03295 0.93081 0.27835 1.00000
Pr3 Pr 0.57176 0.22736 0.37670 1.00000
Pr4 Pr 0.46705 0.72165 0.06919 1.00000
Pr5 Pr 0.53295 0.27835 0.93081 1.00000
Pr6 Pr 0.42824 0.77264 0.62330 1.00000
Pr7 Pr 0.96705 0.06919 0.72165 1.00000
Pr8 Pr 0.07176 0.37670 0.22736 1.00000
Os1 Os 0.25000 0.99888 0.00112 1.00000
Os2 Os 0.75000 0.00112 0.99888 1.00000
Pd1 Pd 0.75000 0.62449 0.37551 1.00000
Pd2 Pd 0.25000 0.37551 0.62449 1.00000
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