Pm3SiNi2
Alexandria ALEXAlex-ID: agm005673828 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2603_spg62
Pm3Si2Ni PmNi
2023-08-25 01:21:36.779263
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005673828).
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 agm005673828
data_agm005673828
_cell_length_a 3.96123
_cell_length_b 11.76602
_cell_length_c 11.81630
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 550.73230
_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
Pm1 Pm 0.25000 0.37759 0.07242 1.00000
Pm2 Pm 0.75000 0.62241 0.92758 1.00000
Pm3 Pm 0.75000 0.87759 0.42758 1.00000
Pm4 Pm 0.25000 0.12241 0.57242 1.00000
Pm5 Pm 0.25000 0.68378 0.18737 1.00000
Pm6 Pm 0.75000 0.31622 0.81263 1.00000
Pm7 Pm 0.75000 0.18378 0.31263 1.00000
Pm8 Pm 0.25000 0.81622 0.68737 1.00000
Pm9 Pm 0.25000 0.43624 0.38375 1.00000
Pm10 Pm 0.75000 0.56376 0.61625 1.00000
Pm11 Pm 0.75000 0.93624 0.11625 1.00000
Pm12 Pm 0.25000 0.06376 0.88375 1.00000
Si1 Si 0.25000 0.13061 0.12807 1.00000
Si2 Si 0.75000 0.86939 0.87193 1.00000
Si3 Si 0.75000 0.63061 0.37193 1.00000
Si4 Si 0.25000 0.36939 0.62807 1.00000
Ni1 Ni 0.25000 0.68591 0.45856 1.00000
Ni2 Ni 0.75000 0.31409 0.54144 1.00000
Ni3 Ni 0.75000 0.18591 0.04144 1.00000
Ni4 Ni 0.25000 0.81409 0.95856 1.00000
Ni5 Ni 0.25000 0.01366 0.30166 1.00000
Ni6 Ni 0.75000 0.98634 0.69834 1.00000
Ni7 Ni 0.75000 0.51366 0.19834 1.00000
Ni8 Ni 0.25000 0.48634 0.80166 1.00000
