Pr6Pd8Rh
Alexandria ALEXAlex-ID: agm072129792 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_1162_spg2
Pr2PdRh Pr3Pd5 PrRh2
2024-10-07 06:11:09.445968
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072129792).
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 agm072129792
data_agm072129792
_cell_length_a 5.73336
_cell_length_b 5.69190
_cell_length_c 10.70173
_cell_angle_alpha 80.04166
_cell_angle_beta 83.24770
_cell_angle_gamma 88.48758
_cell_volume 341.58341
_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 0.77502 0.77764 0.49808 1.00000
Pr2 Pr 0.88166 0.41446 0.83378 1.00000
Pr3 Pr 0.42836 0.92697 0.83790 1.00000
Pr4 Pr 0.22498 0.22236 0.50192 1.00000
Pr5 Pr 0.11834 0.58554 0.16622 1.00000
Pr6 Pr 0.57164 0.07303 0.16210 1.00000
Pd1 Pd 0.96164 0.92519 0.73884 1.00000
Pd2 Pd 0.03836 0.07481 0.26116 1.00000
Pd3 Pd 0.33109 0.58300 0.66866 1.00000
Pd4 Pd 0.65116 0.62447 0.05942 1.00000
Pd5 Pd 0.69258 0.25532 0.59760 1.00000
Pd6 Pd 0.66891 0.41700 0.33134 1.00000
Pd7 Pd 0.34884 0.37553 0.94058 1.00000
Pd8 Pd 0.30742 0.74468 0.40240 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
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