Ac2PrNi2
Alexandria ALEXAlex-ID: agm013687239 · 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
AB2C2_4177_spg2
Ac2Ni PrNi
2025-02-07 11:01:13
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013687239).
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 agm013687239
data_agm013687239
_cell_length_a 6.67386
_cell_length_b 6.67386
_cell_length_c 7.55473
_cell_angle_alpha 79.62191
_cell_angle_beta 100.37809
_cell_angle_gamma 120.55766
_cell_volume 283.45543
_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
Ac1 Ac 0.55716 0.24695 0.65475 1.00000
Ac2 Ac 0.24695 0.55716 0.84525 1.00000
Ac3 Ac 0.44284 0.75305 0.34525 1.00000
Ac4 Ac 0.75305 0.44284 0.15475 1.00000
Pr1 Pr 0.92765 0.92765 0.75000 1.00000
Pr2 Pr 0.07235 0.07235 0.25000 1.00000
Ni1 Ni 0.67782 0.98748 0.99630 1.00000
Ni2 Ni 0.98748 0.67782 0.50370 1.00000
Ni3 Ni 0.32218 0.01252 0.00370 1.00000
Ni4 Ni 0.01252 0.32218 0.49630 1.00000
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