TbPm3Ru2
Alexandria ALEXAlex-ID: agm003421997 · 空间群: Ibam (#72)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_444_spg72
Tb4Ru3 Pm5Ru2 TbRu2
2022-02-14 02:23:58.855742
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003421997).
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 agm003421997
data_agm003421997
_cell_length_a 6.83376
_cell_length_b 7.21025
_cell_length_c 8.47486
_cell_angle_alpha 115.17541
_cell_angle_beta 113.77705
_cell_angle_gamma 90.00000
_cell_volume 338.34265
_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 0.00000 0.50000 0.00000 1.00000
Tb2 Tb 0.00000 0.00000 0.00000 1.00000
Pm1 Pm 0.50000 0.25000 0.00000 1.00000
Pm2 Pm 0.50000 0.75000 0.00000 1.00000
Pm3 Pm 0.76550 0.01550 0.53099 1.00000
Pm4 Pm 0.23450 0.48450 0.46901 1.00000
Pm5 Pm 0.23450 0.98450 0.46901 1.00000
Pm6 Pm 0.76550 0.51550 0.53099 1.00000
Ru1 Ru 0.59269 0.36666 0.73333 1.00000
Ru2 Ru 0.85937 0.13334 0.26667 1.00000
Ru3 Ru 0.14063 0.86666 0.73333 1.00000
Ru4 Ru 0.40731 0.63334 0.26667 1.00000
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