Y4Tm3Sc4
Alexandria ALEXAlex-ID: agm003380469 · 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_25_spg71
Y5Tm YTm2 Sc
2022-02-09 06:56:16.289760
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003380469).
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 agm003380469
data_agm003380469
_cell_length_a 3.41106
_cell_length_b 5.41788
_cell_length_c 17.44011
_cell_angle_alpha 81.04713
_cell_angle_beta 84.37380
_cell_angle_gamma 89.99600
_cell_volume 316.80690
_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
Y1 Y 0.59061 0.09048 0.81966 1.00000
Y2 Y 0.26840 0.26811 0.46378 1.00000
Y3 Y 0.73163 0.73192 0.53622 1.00000
Y4 Y 0.40941 0.90955 0.18034 1.00000
Tm1 Tm 0.13686 0.63638 0.72777 1.00000
Tm2 Tm 0.86317 0.36364 0.27223 1.00000
Tm3 Tm 0.00001 0.00001 1.00000 1.00000
Sc1 Sc 0.54508 0.54443 0.91156 1.00000
Sc2 Sc 0.45494 0.45560 0.08844 1.00000
Sc3 Sc 0.31846 0.81970 0.36056 1.00000
Sc4 Sc 0.68157 0.18032 0.63944 1.00000
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