PrEr3Ag4
Alexandria ALEXAlex-ID: agm017255605 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4_344_spg139
PrEr4Ag5 PrErAg2
2025-07-01 15:34:14
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017255605).
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 agm017255605
data_agm017255605
_cell_length_a 5.13042
_cell_length_b 5.13042
_cell_length_c 8.24367
_cell_angle_alpha 71.92225
_cell_angle_beta 108.07775
_cell_angle_gamma 89.93082
_cell_volume 194.94524
_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 0.50000 0.50000 0.50000 1.00000
Er1 Er 0.00000 0.00000 0.50000 1.00000
Er2 Er 0.75307 0.24693 0.00667 1.00000
Er3 Er 0.24693 0.75307 0.99333 1.00000
Ag1 Ag 0.36713 0.13178 0.23589 1.00000
Ag2 Ag 0.63287 0.86822 0.76411 1.00000
Ag3 Ag 0.13178 0.36713 0.76411 1.00000
Ag4 Ag 0.86822 0.63287 0.23589 1.00000
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