Dy2Y4Sc
Alexandria ALEXAlex-ID: agm003440481 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_1422_spg5
Dy5Y DyY5 Sc
2022-02-19 15:17:01.210994
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003440481).
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 agm003440481
data_agm003440481
_cell_length_a 8.74826
_cell_length_b 8.76337
_cell_length_c 8.76166
_cell_angle_alpha 135.20364
_cell_angle_beta 98.71860
_cell_angle_gamma 98.00786
_cell_volume 437.43070
_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 0.65382 0.25785 0.60303 1.00000
Dy2 Dy 0.59587 0.69917 0.10381 1.00000
Dy3 Dy 0.62523 0.34739 0.22245 1.00000
Dy4 Dy 0.12523 0.41992 0.79536 1.00000
Y1 Y 0.89355 0.14511 0.27779 1.00000
Y2 Y 0.38673 0.68833 0.33654 1.00000
Y3 Y 0.86353 0.69998 0.80204 1.00000
Y4 Y 0.79937 0.02701 0.73015 1.00000
Y5 Y 0.28573 0.01926 0.22305 1.00000
Y6 Y 0.35680 0.13389 0.75156 1.00000
Y7 Y 0.45036 0.68021 0.72696 1.00000
Y8 Y 0.96406 0.68765 0.23333 1.00000
Sc1 Sc 0.10133 0.69541 0.59990 1.00000
Sc2 Sc 0.14838 0.24883 0.09403 1.00000
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