Ac2Pr4Sm2Dy
Alexandria ALEXAlex-ID: agm004561817 · 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
AB2C2D4_214_spg12
Pr3SmDy4 PrSm4 Ac Pr
2022-06-19 20:07:45.465008
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004561817).
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 agm004561817
data_agm004561817
_cell_length_a 3.77140
_cell_length_b 9.90589
_cell_length_c 10.09949
_cell_angle_alpha 115.11732
_cell_angle_beta 90.00000
_cell_angle_gamma 100.97387
_cell_volume 333.99376
_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
Ac1 Ac 0.85348 0.70697 0.33093 1.00000
Ac2 Ac 0.14652 0.29303 0.66907 1.00000
Pr1 Pr 0.81667 0.63334 0.67243 1.00000
Pr2 Pr 0.18333 0.36666 0.32757 1.00000
Pr3 Pr 0.51758 0.03517 0.31782 1.00000
Pr4 Pr 0.48242 0.96483 0.68218 1.00000
Sm1 Sm 0.33526 0.67051 0.99643 1.00000
Sm2 Sm 0.66474 0.32949 0.00357 1.00000
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
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