PmSmDy2Sc
Alexandria ALEXAlex-ID: agm005000063 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD2_1750_spg63
PmSm3Dy4 Pm3SmDy4 Sc
2022-07-05 02:25:35.375186
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005000063).
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 agm005000063
data_agm005000063
_cell_length_a 7.09977
_cell_length_b 8.24171
_cell_length_c 7.00250
_cell_angle_alpha 126.04944
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 331.28364
_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
Pm1 Pm 0.25000 0.73215 0.46429 1.00000
Pm2 Pm 0.75000 0.26785 0.53571 1.00000
Sm1 Sm 0.75000 0.73405 0.46809 1.00000
Sm2 Sm 0.25000 0.26595 0.53191 1.00000
Dy1 Dy 0.50000 0.30280 1.00000 1.00000
Dy2 Dy 0.00000 0.69720 0.00000 1.00000
Dy3 Dy 0.50000 0.69720 0.00000 1.00000
Dy4 Dy 0.00000 0.30280 1.00000 1.00000
Sc1 Sc 0.25000 0.99828 0.99656 1.00000
Sc2 Sc 0.75000 0.00172 0.00344 1.00000
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