CoNiP4
Alexandria ALEXAlex-ID: agm005758981 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_1293_spg15
Ni5P4 NiP2 CoP3
2023-07-31 02:19:14.759363
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005758981).
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 agm005758981
data_agm005758981
_cell_length_a 4.76657
_cell_length_b 5.29023
_cell_length_c 7.32325
_cell_angle_alpha 111.01613
_cell_angle_beta 108.81999
_cell_angle_gamma 90.45131
_cell_volume 161.56150
_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
Co1 Co 0.19206 0.44206 0.38412 1.00000
Co2 Co 0.80794 0.55794 0.61588 1.00000
Ni1 Ni 0.43601 0.18601 0.87203 1.00000
Ni2 Ni 0.56399 0.81399 0.12797 1.00000
P1 P 0.13808 0.88438 0.90531 1.00000
P2 P 0.76723 0.52093 0.90531 1.00000
P3 P 0.89885 0.77052 0.40824 1.00000
P4 P 0.10115 0.22948 0.59176 1.00000
P5 P 0.49061 0.86228 0.59176 1.00000
P6 P 0.23277 0.47907 0.09469 1.00000
P7 P 0.50939 0.13772 0.40824 1.00000
P8 P 0.86192 0.11562 0.09469 1.00000
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