Tb6Nd2Sc
Alexandria ALEXAlex-ID: agm003481802 · 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
AB2C6_645_spg15
Tb5Nd3 Tb5Nd Sc
2022-03-10 19:39:42.909561
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003481802).
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 agm003481802
data_agm003481802
_cell_length_a 6.08588
_cell_length_b 10.02409
_cell_length_c 10.02409
_cell_angle_alpha 70.47766
_cell_angle_beta 84.43073
_cell_angle_gamma 84.43073
_cell_volume 572.28412
_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 0.48921 0.69098 0.40671 1.00000
Tb2 Tb 0.01079 0.59329 0.30902 1.00000
Tb3 Tb 0.51079 0.30902 0.59329 1.00000
Tb4 Tb 0.98921 0.40671 0.69098 1.00000
Tb5 Tb 0.63717 0.06740 0.34105 1.00000
Tb6 Tb 0.86283 0.65895 0.93260 1.00000
Tb7 Tb 0.36283 0.93260 0.65895 1.00000
Tb8 Tb 0.13717 0.34105 0.06740 1.00000
Tb9 Tb 0.32767 0.75802 0.02619 1.00000
Tb10 Tb 0.17233 0.97381 0.24198 1.00000
Tb11 Tb 0.67233 0.24198 0.97381 1.00000
Tb12 Tb 0.82767 0.02619 0.75802 1.00000
Nd1 Nd 0.43716 0.56772 0.77489 1.00000
Nd2 Nd 0.06284 0.22511 0.43228 1.00000
Nd3 Nd 0.56284 0.43228 0.22511 1.00000
Nd4 Nd 0.93716 0.77489 0.56772 1.00000
Sc1 Sc 0.25000 0.10304 0.89696 1.00000
Sc2 Sc 0.75000 0.89696 0.10304 1.00000
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