MnNiP4
Alexandria ALEXAlex-ID: agm005758975 · 空间群: P4/mmm (#123)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_1943_spg65
MnP4 NiP2 MnP
2023-07-31 03:13:47.952422
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005758975).
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}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005758975
data_agm005758975
_cell_length_a 5.46893
_cell_length_b 5.66141
_cell_length_c 6.55398
_cell_angle_alpha 115.60415
_cell_angle_beta 114.73630
_cell_angle_gamma 89.96780
_cell_volume 162.12981
_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
Mn1 Mn 0.00000 0.00000 0.50000 1.00000
Mn2 Mn 0.50000 0.50000 0.50000 1.00000
Ni1 Ni 0.75000 0.24995 0.00000 1.00000
Ni2 Ni 0.25000 0.75005 1.00000 1.00000
P1 P 0.87252 0.37226 0.74447 1.00000
P2 P 0.62758 0.62787 0.25571 1.00000
P3 P 0.12748 0.62774 0.25553 1.00000
P4 P 0.37242 0.37213 0.74429 1.00000
P5 P 0.87235 0.87208 0.74429 1.00000
P6 P 0.62756 0.12770 0.25554 1.00000
P7 P 0.12765 0.12792 0.25571 1.00000
P8 P 0.37244 0.87230 0.74446 1.00000
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