Sr(Pr3Au4)2
Alexandria ALEXAlex-ID: agm072931175 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_38_spg148
Sr5Au6 SrPrAu4 PrAu
2024-10-07 08:17:46.687905
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072931175).
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 agm072931175
data_agm072931175
_cell_length_a 7.87455
_cell_length_b 7.87455
_cell_length_c 7.87455
_cell_angle_alpha 70.14395
_cell_angle_beta 70.14395
_cell_angle_gamma 70.14395
_cell_volume 417.84223
_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
Sr1 Sr 0.00000 0.00000 0.00000 1.00000
Pr1 Pr 0.85019 0.57650 0.34239 1.00000
Pr2 Pr 0.57650 0.34239 0.85019 1.00000
Pr3 Pr 0.34239 0.85019 0.57650 1.00000
Pr4 Pr 0.14981 0.42350 0.65761 1.00000
Pr5 Pr 0.42350 0.65761 0.14981 1.00000
Pr6 Pr 0.65761 0.14981 0.42350 1.00000
Au1 Au 0.71555 0.71555 0.71555 1.00000
Au2 Au 0.28445 0.28445 0.28445 1.00000
Au3 Au 0.17033 0.57724 0.95763 1.00000
Au4 Au 0.57724 0.95763 0.17033 1.00000
Au5 Au 0.95763 0.17033 0.57724 1.00000
Au6 Au 0.82967 0.42276 0.04237 1.00000
Au7 Au 0.42276 0.04237 0.82967 1.00000
Au8 Au 0.04237 0.82967 0.42276 1.00000
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