Dy4TmSc3
Alexandria ALEXAlex-ID: agm005909487 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4_1239_spg12
Dy5Tm DyTm5 Sc
2023-10-04 19:06:20.593743
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005909487).
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 agm005909487
data_agm005909487
_cell_length_a 6.82273
_cell_length_b 6.83212
_cell_length_c 7.64452
_cell_angle_alpha 77.68759
_cell_angle_beta 131.82318
_cell_angle_gamma 119.43774
_cell_volume 227.63460
_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
Sc1 Sc 0.50001 0.50000 0.00001 1.00000
Sc2 Sc 0.75250 0.25246 0.50009 1.00000
Sc3 Sc 0.24749 0.74754 0.49991 1.00000
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
Dy1 Dy 0.00000 0.50000 1.00000 1.00000
Dy2 Dy 0.50000 1.00000 1.00000 1.00000
Dy3 Dy 0.25266 0.25202 0.50464 1.00000
Dy4 Dy 0.74734 0.74798 0.49536 1.00000
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