Dy3Th3Sc5
Alexandria ALEXAlex-ID: agm005684670 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B3C5_94_spg1
DyTh Sc
2023-06-24 13:59:58.907414
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005684670).
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 agm005684670
data_agm005684670
_cell_length_a 6.22286
_cell_length_b 9.60089
_cell_length_c 8.30358
_cell_angle_alpha 125.69324
_cell_angle_beta 82.77085
_cell_angle_gamma 65.38891
_cell_volume 317.33470
_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
Dy1 Dy 0.27894 0.86309 0.14995 1.00000
Dy2 Dy 0.76287 0.11272 0.08722 1.00000
Dy3 Dy 0.29779 0.03803 0.79825 1.00000
Th1 Th 0.93034 0.66644 0.94527 1.00000
Th2 Th 0.94180 0.86323 0.53498 1.00000
Th3 Th 0.04039 0.41194 0.41150 1.00000
Sc1 Sc 0.69635 0.57772 0.22993 1.00000
Sc2 Sc 0.82425 0.31616 0.70182 1.00000
Sc3 Sc 0.36412 0.40619 0.02543 1.00000
Sc4 Sc 0.39187 0.58785 0.61052 1.00000
Sc5 Sc 0.47127 0.15664 0.50513 1.00000
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