Dy2Y6Er
Alexandria ALEXAlex-ID: agm005602862 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_654_spg15
Dy5Y DyY5 Y5Er
2023-07-10 19:05:58.698720
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005602862).
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 agm005602862
data_agm005602862
_cell_length_a 11.01476
_cell_length_b 9.53123
_cell_length_c 9.53123
_cell_angle_alpha 75.67528
_cell_angle_beta 50.57901
_cell_angle_gamma 50.57900
_cell_volume 576.41616
_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 0.02061 0.75927 0.91510 1.00000
Dy2 Dy 0.47939 0.08490 0.24073 1.00000
Dy3 Dy 0.97939 0.24073 0.08490 1.00000
Dy4 Dy 0.52061 0.91510 0.75927 1.00000
Y1 Y 0.60154 0.39669 0.59478 1.00000
Y2 Y 0.89846 0.40522 0.60331 1.00000
Y3 Y 0.39846 0.60331 0.40522 1.00000
Y4 Y 0.10154 0.59478 0.39669 1.00000
Y5 Y 0.77814 0.01783 0.33533 1.00000
Y6 Y 0.72186 0.66467 0.98217 1.00000
Y7 Y 0.22186 0.98217 0.66467 1.00000
Y8 Y 0.27814 0.33533 0.01783 1.00000
Y9 Y 0.32180 0.70643 0.98428 1.00000
Y10 Y 0.17820 0.01572 0.29357 1.00000
Y11 Y 0.67820 0.29357 0.01572 1.00000
Y12 Y 0.82180 0.98428 0.70643 1.00000
Er1 Er 0.25000 0.33441 0.66559 1.00000
Er2 Er 0.75000 0.66559 0.33441 1.00000
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