Pr(In3Ag4)2
Alexandria ALEXAlex-ID: agm072862425 · 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_91_spg148
InAg7 Pr(InAg)6 PrIn3
2024-10-05 00:17:30.885813
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072862425).
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 agm072862425
data_agm072862425
_cell_length_a 7.20964
_cell_length_b 7.20964
_cell_length_c 7.20964
_cell_angle_alpha 73.46392
_cell_angle_beta 73.46392
_cell_angle_gamma 73.46392
_cell_volume 335.83201
_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 0.00000 0.00000 0.00000 1.00000
In1 In 0.58760 0.32242 0.17151 1.00000
In2 In 0.17151 0.58760 0.32242 1.00000
In3 In 0.32242 0.17151 0.58760 1.00000
In4 In 0.41240 0.67758 0.82849 1.00000
In5 In 0.82849 0.41240 0.67758 1.00000
In6 In 0.67758 0.82849 0.41240 1.00000
Ag1 Ag 0.20735 0.20735 0.20735 1.00000
Ag2 Ag 0.79265 0.79265 0.79265 1.00000
Ag3 Ag 0.14115 0.46382 0.82069 1.00000
Ag4 Ag 0.82069 0.14115 0.46382 1.00000
Ag5 Ag 0.46382 0.82069 0.14115 1.00000
Ag6 Ag 0.85885 0.53618 0.17931 1.00000
Ag7 Ag 0.17931 0.85885 0.53618 1.00000
Ag8 Ag 0.53618 0.17931 0.85885 1.00000
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