Pr2Sm2Dy2Ho
Alexandria ALEXAlex-ID: agm011328443 · 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
AB2C2D2_146_spg2
Pr3SmDy4 PrSmHo4 PrSm4 SmDy5
2024-05-10 12:41:25.376997
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011328443).
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 agm011328443
data_agm011328443
_cell_length_a 8.70442
_cell_length_b 8.70442
_cell_length_c 8.91260
_cell_angle_alpha 61.15807
_cell_angle_beta 61.15807
_cell_angle_gamma 23.60743
_cell_volume 235.30839
_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 0.35829 0.35829 0.84354 1.00000
Pr2 Pr 0.64171 0.64171 0.15646 1.00000
Sm1 Sm 0.92947 0.92947 0.42668 1.00000
Sm2 Sm 0.07053 0.07053 0.57332 1.00000
Dy1 Dy 0.29505 0.29505 0.29553 1.00000
Dy2 Dy 0.70495 0.70495 0.70447 1.00000
Ho1 Ho 0.00000 0.00000 0.00000 1.00000
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