Pr3GaNi
Alexandria ALEXAlex-ID: agm005854580 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_5566_spg2
Pr3Ni PrGa PrNi
2023-07-04 22:20:20.952279
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005854580).
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 agm005854580
data_agm005854580
_cell_length_a 6.14481
_cell_length_b 6.14481
_cell_length_c 8.70429
_cell_angle_alpha 68.99068
_cell_angle_beta 68.99068
_cell_angle_gamma 65.31000
_cell_volume 270.18959
_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
Pr1 Pr 0.31567 0.31567 0.86902 1.00000
Pr2 Pr 0.68433 0.68433 0.13098 1.00000
Pr3 Pr 0.02143 0.02143 0.76734 1.00000
Pr4 Pr 0.97857 0.97857 0.23266 1.00000
Pr5 Pr 0.70666 0.70666 0.66712 1.00000
Pr6 Pr 0.29334 0.29334 0.33288 1.00000
Ga1 Ga 0.69800 0.30200 0.50000 1.00000
Ga2 Ga 0.30200 0.69800 0.50000 1.00000
Ni1 Ni 0.30938 0.69062 1.00000 1.00000
Ni2 Ni 0.69062 0.30938 0.00000 1.00000
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