Pm2SmDyS6
Alexandria ALEXAlex-ID: agm004960367 · 空间群: R3 (#146)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_266_spg146
PmSmS3 PmDyS3
2022-08-03 00:52:29.554302
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004960367).
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 agm004960367
data_agm004960367
_cell_length_a 7.07228
_cell_length_b 7.07240
_cell_length_c 7.46015
_cell_angle_alpha 61.69899
_cell_angle_beta 61.70095
_cell_angle_gamma 59.99462
_cell_volume 270.41739
_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 0.52090 0.52085 0.43742 1.00000
Pm2 Pm 0.01910 0.01915 0.94265 1.00000
Sm1 Sm 0.81383 0.81388 0.55839 1.00000
Dy1 Dy 0.31631 0.31625 0.05114 1.00000
S1 S 0.60859 0.20934 0.25322 1.00000
S2 S 0.20928 0.92887 0.25323 1.00000
S3 S 0.92889 0.60860 0.25326 1.00000
S4 S 0.42001 0.70689 0.75528 1.00000
S5 S 0.70692 0.11772 0.75531 1.00000
S6 S 0.11777 0.42005 0.75531 1.00000
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