Pr3(Ag2Pb)2
Alexandria ALEXAlex-ID: agm005608485 · 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
A2B3C4_272_spg12
PrAgPb Pr4Pb3 Pr14Ag51
2023-06-26 16:35:26.730234
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005608485).
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 agm005608485
data_agm005608485
_cell_length_a 4.85983
_cell_length_b 6.20538
_cell_length_c 9.44577
_cell_angle_alpha 113.36303
_cell_angle_beta 90.00002
_cell_angle_gamma 113.05298
_cell_volume 236.51837
_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 0.65676 0.31352 0.67764 1.00000
Pr2 Pr 0.00000 0.00000 0.00000 1.00000
Pr3 Pr 0.34324 0.68648 0.32236 1.00000
Ag1 Ag 0.71260 0.42521 0.03958 1.00000
Ag2 Ag 0.28740 0.57479 0.96042 1.00000
Ag3 Ag 0.91793 0.83585 0.57631 1.00000
Ag4 Ag 0.08207 0.16415 0.42369 1.00000
Pb1 Pb 0.62060 0.24120 0.28191 1.00000
Pb2 Pb 0.37940 0.75880 0.71809 1.00000
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