Ca4DyNi2
Alexandria ALEXAlex-ID: agm095981013 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_4289_spg12
Dy15Ni32 DyNi Ca
2025-04-10 15:59:10
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm095981013).
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 agm095981013
data_agm095981013
_cell_length_a 3.89474
_cell_length_b 5.77292
_cell_length_c 9.71027
_cell_angle_alpha 81.99868
_cell_angle_beta 78.82561
_cell_angle_gamma 89.96389
_cell_volume 212.02368
_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
Ca1 Ca 0.92778 0.35572 0.20773 1.00000
Ca2 Ca 0.73950 0.25654 0.58885 1.00000
Ca3 Ca 0.31026 0.79978 0.44350 1.00000
Ca4 Ca 0.11909 0.45321 0.84059 1.00000
Dy1 Dy 0.55584 0.91226 0.96686 1.00000
Ni1 Ni 0.15557 0.95967 0.76335 1.00000
Ni2 Ni 0.69197 0.76282 0.68913 1.00000
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