Y2Er6TmSc
Alexandria ALEXAlex-ID: agm004977333 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_695_spg15
YEr5 Er5Tm Y5Er Sc
2022-08-02 14:12:01.475486
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004977333).
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 agm004977333
data_agm004977333
_cell_length_a 9.34762
_cell_length_b 8.61214
_cell_length_c 8.61214
_cell_angle_alpha 117.27658
_cell_angle_beta 93.81068
_cell_angle_gamma 93.81068
_cell_volume 611.16625
_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 0.45355 0.79984 0.69795 1.00000
Y2 Y 0.04645 0.30205 0.20016 1.00000
Y3 Y 0.54645 0.20016 0.30205 1.00000
Y4 Y 0.95355 0.69795 0.79984 1.00000
Er1 Er 0.05688 0.12692 0.75219 1.00000
Er2 Er 0.44312 0.24781 0.87308 1.00000
Er3 Er 0.94312 0.87308 0.24781 1.00000
Er4 Er 0.55688 0.75219 0.12692 1.00000
Er5 Er 0.30985 0.99100 0.43262 1.00000
Er6 Er 0.19015 0.56738 0.00900 1.00000
Er7 Er 0.69015 0.00900 0.56738 1.00000
Er8 Er 0.80985 0.43262 0.99100 1.00000
Er9 Er 0.11648 0.70802 0.49242 1.00000
Er10 Er 0.38352 0.50758 0.29198 1.00000
Er11 Er 0.88352 0.29198 0.50758 1.00000
Er12 Er 0.61648 0.49242 0.70802 1.00000
Tm1 Tm 0.25000 0.97762 0.02238 1.00000
Tm2 Tm 0.75000 0.02238 0.97762 1.00000
Sc1 Sc 0.25000 0.41222 0.58778 1.00000
Sc2 Sc 0.75000 0.58778 0.41222 1.00000
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