Dy6Ni8Br
Alexandria ALEXAlex-ID: agm072137458 · 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
AB6C8_740_spg1
DyNiBr Dy15Ni32 DyNi
2024-10-07 00:43:10.741247
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072137458).
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 agm072137458
data_agm072137458
_cell_length_a 5.37360
_cell_length_b 5.36997
_cell_length_c 11.95752
_cell_angle_alpha 108.91603
_cell_angle_beta 95.53908
_cell_angle_gamma 94.36555
_cell_volume 322.76752
_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
Dy1 Dy 0.91718 0.77993 0.70452 1.00000
Dy2 Dy 0.24931 0.75087 1.00000 1.00000
Dy3 Dy 0.41975 0.28205 0.70341 1.00000
Dy4 Dy 0.08282 0.22007 0.29548 1.00000
Dy5 Dy 0.75069 0.24913 0.00000 1.00000
Dy6 Dy 0.58025 0.71795 0.29659 1.00000
Ni1 Ni 0.21814 0.17964 0.89674 1.00000
Ni2 Ni 0.78186 0.82036 0.10326 1.00000
Ni3 Ni 0.94008 0.33150 0.77512 1.00000
Ni4 Ni 0.44095 0.84840 0.79269 1.00000
Ni5 Ni 0.27635 0.33449 0.10624 1.00000
Ni6 Ni 0.05992 0.66850 0.22488 1.00000
Ni7 Ni 0.55905 0.15160 0.20731 1.00000
Ni8 Ni 0.72365 0.66551 0.89376 1.00000
Br1 Br 0.50000 0.50000 0.50000 1.00000
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