Dy(Er2Sc3)2
Alexandria ALEXAlex-ID: agm003662349 · 空间群: I-42m (#121)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C6_191_spg121
Dy5Er4 DyEr5 Sc
2022-04-26 12:41:01.025192
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003662349).
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 agm003662349
data_agm003662349
_cell_length_a 9.08111
_cell_length_b 9.08111
_cell_length_c 9.08111
_cell_angle_alpha 58.58906
_cell_angle_beta 139.51591
_cell_angle_gamma 139.51591
_cell_volume 312.73003
_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 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.00000 0.01119 0.63052 1.00000
Er2 Er 0.38067 0.36948 0.36948 1.00000
Er3 Er 0.00000 0.63052 0.01119 1.00000
Er4 Er 0.61933 0.98881 0.98881 1.00000
Sc1 Sc 1.00000 0.79031 0.44444 1.00000
Sc2 Sc 1.00000 0.44444 0.79031 1.00000
Sc3 Sc 0.65413 0.20969 0.20969 1.00000
Sc4 Sc 0.50000 0.00000 0.50000 1.00000
Sc5 Sc 0.34587 0.55556 0.55556 1.00000
Sc6 Sc 0.50000 0.50000 0.00000 1.00000
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