Tb2Dy3HoN6
Alexandria ALEXAlex-ID: agm030948314 · 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
AB2C3D6_28_spg12
DyHo4N5 Dy4HoN5 Tb4DyN5
2024-10-27 08:24:14.178698
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm030948314).
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 agm030948314
data_agm030948314
_cell_length_a 7.77587
_cell_length_b 7.77587
_cell_length_c 6.95711
_cell_angle_alpha 77.07537
_cell_angle_beta 77.07537
_cell_angle_gamma 25.84926
_cell_volume 178.51347
_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 0.16636 0.16636 0.16742 1.00000
Tb2 Tb 0.83364 0.83364 0.83258 1.00000
Dy1 Dy 0.50000 0.50000 0.00000 1.00000
Dy2 Dy 0.16629 0.16629 0.66647 1.00000
Dy3 Dy 0.83371 0.83371 0.33353 1.00000
Ho1 Ho 0.50000 0.50000 0.50000 1.00000
N1 N 0.66603 0.66603 0.41780 1.00000
N2 N 0.33389 0.33389 0.08445 1.00000
N3 N 0.33397 0.33397 0.58220 1.00000
N4 N 0.00040 0.00040 0.74863 1.00000
N5 N 0.99960 0.99960 0.25137 1.00000
N6 N 0.66611 0.66611 0.91555 1.00000
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