Tb7Er4Sc
Alexandria ALEXAlex-ID: agm003668085 · 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
AB4C7_93_spg12
Tb5Er4 Tb5Er Sc
2022-05-04 03:24:59.174633
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003668085).
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 agm003668085
data_agm003668085
_cell_length_a 5.78752
_cell_length_b 8.55475
_cell_length_c 9.45519
_cell_angle_alpha 61.17861
_cell_angle_beta 72.17865
_cell_angle_gamma 70.22888
_cell_volume 380.11929
_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
Tb1 Tb 0.82950 0.96398 0.37702 1.00000
Tb2 Tb 0.17050 0.03602 0.62298 1.00000
Tb3 Tb 0.07173 0.56647 0.29006 1.00000
Tb4 Tb 0.92827 0.43353 0.70994 1.00000
Tb5 Tb 0.28603 0.54933 0.87862 1.00000
Tb6 Tb 0.50000 0.00000 0.00000 1.00000
Tb7 Tb 0.71397 0.45067 0.12138 1.00000
Er1 Er 0.58319 0.27857 0.55505 1.00000
Er2 Er 0.41681 0.72143 0.44495 1.00000
Er3 Er 0.71408 0.80759 0.76425 1.00000
Er4 Er 0.28592 0.19241 0.23575 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
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