Sr4Pr5
Alexandria ALEXAlex-ID: agm009707645 · 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
A4B5_119_spg12
Pr Sr
2024-06-27 18:37:45.062995
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009707645).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm009707645
data_agm009707645
_cell_length_a 10.33312
_cell_length_b 10.33312
_cell_length_c 10.78259
_cell_angle_alpha 64.21575
_cell_angle_beta 64.21575
_cell_angle_gamma 21.57521
_cell_volume 379.58764
_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 0.80950 0.80950 0.82278 1.00000
Sr2 Sr 0.19050 0.19050 0.17722 1.00000
Sr3 Sr 0.47802 0.47802 0.83888 1.00000
Sr4 Sr 0.52198 0.52198 0.16112 1.00000
Pr1 Pr 0.66772 0.66772 0.50973 1.00000
Pr2 Pr 0.33228 0.33228 0.49027 1.00000
Pr3 Pr 0.84947 0.84947 0.19354 1.00000
Pr4 Pr 0.15053 0.15053 0.80646 1.00000
Pr5 Pr 0.00000 0.00000 0.50000 1.00000
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