Dy4Er3Tm4
Alexandria ALEXAlex-ID: agm005698658 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_71_spg71
ErTm2 Dy7Er2 ErTm5
2023-06-29 21:21:13.717342
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698658).
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 agm005698658
data_agm005698658
_cell_length_a 3.50292
_cell_length_b 11.04041
_cell_length_c 10.68499
_cell_angle_alpha 121.10675
_cell_angle_beta 99.42848
_cell_angle_gamma 90.00001
_cell_volume 347.27179
_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 0.78087 0.28088 0.56176 1.00000
Dy2 Dy 0.21913 0.71912 0.43824 1.00000
Dy3 Dy 0.50000 0.79427 1.00000 1.00000
Dy4 Dy 0.50000 0.20573 0.00000 1.00000
Er1 Er 0.89048 0.89049 0.78097 1.00000
Er2 Er 0.10952 0.10951 0.21903 1.00000
Er3 Er 0.00000 0.50000 0.00000 1.00000
Tm1 Tm 0.67068 0.42828 0.34130 1.00000
Tm2 Tm 0.32932 0.08698 0.65870 1.00000
Tm3 Tm 0.32932 0.57172 0.65870 1.00000
Tm4 Tm 0.67068 0.91302 0.34130 1.00000
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