Dy4Ni3P8
Alexandria ALEXAlex-ID: agm008301765 · 空间群: P-4m2 (#115)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C8_1_spg115
Dy(NiP)2 NiP2 DyP
2024-07-13 03:03:43.043852
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008301765).
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 agm008301765
data_agm008301765
_cell_length_a 3.75172
_cell_length_b 3.75172
_cell_length_c 18.42370
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 259.32164
_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 0.50000 0.00000 0.36376 1.00000
Dy2 Dy 0.50000 0.00000 0.87711 1.00000
Dy3 Dy 0.00000 0.50000 0.12289 1.00000
Dy4 Dy 0.00000 0.50000 0.63624 1.00000
Ni1 Ni 0.50000 0.50000 0.50000 1.00000
Ni2 Ni 0.00000 0.00000 0.00000 1.00000
Ni3 Ni 0.00000 0.00000 0.50000 1.00000
P1 P 0.50000 0.00000 0.06023 1.00000
P2 P 0.50000 0.00000 0.56913 1.00000
P3 P 0.00000 0.50000 0.43087 1.00000
P4 P 0.00000 0.50000 0.93977 1.00000
P5 P 0.50000 0.50000 0.24471 1.00000
P6 P 0.50000 0.50000 0.75529 1.00000
P7 P 0.00000 0.00000 0.24410 1.00000
P8 P 0.00000 0.00000 0.75590 1.00000
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