Pr8Ni4Sb
Alexandria ALEXAlex-ID: agm098078136 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1160_spg6
Pr3Ni PrNi Pr5Sb3
2025-06-22 09:16:23
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098078136).
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
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# CIF generated by HEAS from Alexandria entry agm098078136
data_agm098078136
_cell_length_a 4.09783
_cell_length_b 11.34311
_cell_length_c 9.66469
_cell_angle_alpha 53.64811
_cell_angle_beta 90.01999
_cell_angle_gamma 90.02270
_cell_volume 361.81065
_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 0.30790 0.21108 0.21793 1.00000
Pr2 Pr 0.30725 0.72667 0.03895 1.00000
Pr3 Pr 0.30790 0.56108 0.79620 1.00000
Pr4 Pr 0.30764 0.11564 0.67593 1.00000
Pr5 Pr 0.80738 0.75175 0.36646 1.00000
Pr6 Pr 0.80740 0.44487 0.36315 1.00000
Pr7 Pr 0.80763 0.28334 0.83420 1.00000
Pr8 Pr 0.80736 0.86944 0.65583 1.00000
Ni1 Ni 0.80760 0.94091 0.94705 1.00000
Ni2 Ni 0.80846 0.44457 0.04269 1.00000
Ni3 Ni 0.30789 0.47772 0.54735 1.00000
Ni4 Ni 0.80801 0.17116 0.43620 1.00000
Sb1 Sb 0.30758 0.00177 0.07805 1.00000
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