Pr3(Sm2Y)2
Alexandria ALEXAlex-ID: agm036633409 · 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_453_spg12
PrSm4 Pr PrY2
2025-01-25 09:07:44
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm036633409).
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 agm036633409
data_agm036633409
_cell_length_a 9.72825
_cell_length_b 9.72825
_cell_length_c 9.76365
_cell_angle_alpha 64.80656
_cell_angle_beta 115.19344
_cell_angle_gamma 158.23561
_cell_volume 308.75622
_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 0.33308 0.66692 0.99978 1.00000
Pr2 Pr 0.66692 0.33308 0.00022 1.00000
Pr3 Pr 0.00000 0.00000 0.00000 1.00000
Sm1 Sm 0.81476 0.18524 0.66482 1.00000
Sm2 Sm 0.18524 0.81476 0.33518 1.00000
Sm3 Sm 0.51834 0.48166 0.33605 1.00000
Sm4 Sm 0.48166 0.51834 0.66395 1.00000
Y1 Y 0.85206 0.14794 0.33487 1.00000
Y2 Y 0.14794 0.85206 0.66513 1.00000
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