Tb3Pr5Ni
Alexandria ALEXAlex-ID: agm072553673 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_342_spg1
Tb3Ni Pr
2024-09-25 22:10:47.606054
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072553673).
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 agm072553673
data_agm072553673
_cell_length_a 6.14823
_cell_length_b 7.28721
_cell_length_c 7.08484
_cell_angle_alpha 111.72047
_cell_angle_beta 97.74665
_cell_angle_gamma 86.45198
_cell_volume 292.17225
_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
Tb1 Tb 0.17608 0.61353 0.68359 1.00000
Tb2 Tb 0.59050 0.38517 0.12197 1.00000
Tb3 Tb 0.69895 0.33211 0.62487 1.00000
Pr1 Pr 0.08258 0.61596 0.15862 1.00000
Pr2 Pr 0.61236 0.87153 0.03894 1.00000
Pr3 Pr 0.22323 0.10392 0.72871 1.00000
Pr4 Pr 0.65947 0.80223 0.51940 1.00000
Pr5 Pr 0.13323 0.16213 0.24816 1.00000
Ni1 Ni 0.82357 0.11343 0.87573 1.00000
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