Tb3MgSc
Alexandria ALEXAlex-ID: agm005775673 · 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
ABC3_6477_spg12
Tb2Mg Tb Sc
2023-07-04 17:45:52.799903
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005775673).
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 agm005775673
data_agm005775673
_cell_length_a 3.42833
_cell_length_b 8.25090
_cell_length_c 11.10792
_cell_angle_alpha 108.20196
_cell_angle_beta 98.87732
_cell_angle_gamma 90.00000
_cell_volume 294.52034
_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 0.01737 0.22034 0.03473 1.00000
Tb2 Tb 0.98263 0.77966 0.96527 1.00000
Tb3 Tb 0.37563 0.95951 0.75126 1.00000
Tb4 Tb 0.62437 0.04049 0.24874 1.00000
Tb5 Tb 0.17849 0.44215 0.35697 1.00000
Tb6 Tb 0.82151 0.55785 0.64303 1.00000
Mg1 Mg 0.57789 0.60131 0.15578 1.00000
Mg2 Mg 0.42211 0.39869 0.84422 1.00000
Sc1 Sc 0.73389 0.82305 0.46778 1.00000
Sc2 Sc 0.26611 0.17695 0.53222 1.00000
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