Dy2Y5ThSc
Alexandria ALEXAlex-ID: agm005152829 · 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_252_spg36
DyY5 Dy5Y Y2Th Sc
2023-01-19 13:53:51.826581
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005152829).
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 agm005152829
data_agm005152829
_cell_length_a 5.66052
_cell_length_b 11.23277
_cell_length_c 9.49811
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 104.59379
_cell_volume 584.43622
_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 0.88482 0.76965 0.82113 1.00000
Dy2 Dy 0.13160 0.26320 0.71210 1.00000
Dy3 Dy 0.11518 0.23035 0.32113 1.00000
Dy4 Dy 0.86840 0.73680 0.21210 1.00000
Y1 Y 0.39237 0.78474 0.04367 1.00000
Y2 Y 0.73166 0.46333 0.82895 1.00000
Y3 Y 0.47139 0.94278 0.74682 1.00000
Y4 Y 0.30333 0.60666 0.71691 1.00000
Y5 Y 0.98665 0.97330 0.51244 1.00000
Y6 Y 0.60763 0.21526 0.54367 1.00000
Y7 Y 0.26834 0.53667 0.32895 1.00000
Y8 Y 0.52861 0.05722 0.24682 1.00000
Y9 Y 0.69667 0.39334 0.21691 1.00000
Y10 Y 0.01335 0.02670 0.01244 1.00000
Th1 Th 0.59950 0.19899 0.92657 1.00000
Th2 Th 0.40050 0.80101 0.42657 1.00000
Sc1 Sc 0.81160 0.62320 0.51539 1.00000
Sc2 Sc 0.18840 0.37680 0.01539 1.00000
获取直接链接