NdDyY5Tm2
Alexandria ALEXAlex-ID: agm005146428 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_204_spg36
Nd2DyY6 Dy5Tm Y5Tm DyTm5
2023-01-26 02:35:37.983034
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005146428).
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 agm005146428
data_agm005146428
_cell_length_a 5.62446
_cell_length_b 10.49344
_cell_length_c 10.43804
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.54524
_cell_volume 593.51697
_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
Nd1 Nd 0.80389 0.60779 0.51548 1.00000
Nd2 Nd 0.19611 0.39221 0.01548 1.00000
Dy1 Dy 0.58770 0.17540 0.94720 1.00000
Dy2 Dy 0.41230 0.82460 0.44720 1.00000
Y1 Y 0.38964 0.77928 0.02610 1.00000
Y2 Y 0.72283 0.44567 0.81627 1.00000
Y3 Y 0.47765 0.95531 0.73742 1.00000
Y4 Y 0.30132 0.60264 0.70513 1.00000
Y5 Y 0.98422 0.96844 0.52216 1.00000
Y6 Y 0.61036 0.22072 0.52610 1.00000
Y7 Y 0.27717 0.55433 0.31627 1.00000
Y8 Y 0.52235 0.04469 0.23742 1.00000
Y9 Y 0.69868 0.39736 0.20513 1.00000
Y10 Y 0.01578 0.03156 0.02216 1.00000
Tm1 Tm 0.88752 0.77504 0.81948 1.00000
Tm2 Tm 0.11135 0.22270 0.73473 1.00000
Tm3 Tm 0.11248 0.22496 0.31948 1.00000
Tm4 Tm 0.88865 0.77730 0.23473 1.00000
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