Tb7Nd4Dy
Alexandria ALEXAlex-ID: agm003669991 · 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_85_spg12
Tb5Dy Tb5Nd3 TbDy5
2022-04-20 11:58:03.199752
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003669991).
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}
}
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# CIF generated by HEAS from Alexandria entry agm003669991
data_agm003669991
_cell_length_a 5.96423
_cell_length_b 11.73424
_cell_length_c 6.75658
_cell_angle_alpha 83.68083
_cell_angle_beta 63.80902
_cell_angle_gamma 75.27748
_cell_volume 410.38187
_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 0.78837 0.92330 0.49997 1.00000
Tb2 Tb 0.21163 0.07670 0.50003 1.00000
Tb3 Tb 0.06852 0.68719 0.17576 1.00000
Tb4 Tb 0.93148 0.31281 0.82424 1.00000
Tb5 Tb 0.36842 0.49575 0.76742 1.00000
Tb6 Tb 0.50000 0.00000 0.00000 1.00000
Tb7 Tb 0.63158 0.50425 0.23258 1.00000
Nd1 Nd 0.63985 0.22251 0.49780 1.00000
Nd2 Nd 0.36015 0.77749 0.50220 1.00000
Nd3 Nd 0.77558 0.66795 0.78089 1.00000
Nd4 Nd 0.22442 0.33205 0.21911 1.00000
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
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