Tb2PmNd5Ho
Alexandria ALEXAlex-ID: agm005166115 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_204_spg36
Tb2Nd3Ho TbPmNd Nd NdHo2
2023-01-16 13:22:47.353951
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005166115).
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 agm005166115
data_agm005166115
_cell_length_a 5.68411
_cell_length_b 10.63071
_cell_length_c 10.75195
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.50627
_cell_volume 626.05083
_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 0.88377 0.76754 0.81612 1.00000
Tb2 Tb 0.11114 0.22228 0.73714 1.00000
Tb3 Tb 0.11623 0.23246 0.31612 1.00000
Tb4 Tb 0.88886 0.77772 0.23714 1.00000
Pm1 Pm 0.79936 0.59872 0.50940 1.00000
Pm2 Pm 0.20064 0.40128 0.00940 1.00000
Nd1 Nd 0.39001 0.78001 0.02446 1.00000
Nd2 Nd 0.71940 0.43881 0.80965 1.00000
Nd3 Nd 0.48039 0.96078 0.74306 1.00000
Nd4 Nd 0.29663 0.59326 0.70391 1.00000
Nd5 Nd 0.98393 0.96785 0.52085 1.00000
Nd6 Nd 0.60999 0.21999 0.52446 1.00000
Nd7 Nd 0.28060 0.56119 0.30965 1.00000
Nd8 Nd 0.51961 0.03922 0.24306 1.00000
Nd9 Nd 0.70337 0.40674 0.20391 1.00000
Nd10 Nd 0.01607 0.03215 0.02085 1.00000
Ho1 Ho 0.59058 0.18117 0.95937 1.00000
Ho2 Ho 0.40942 0.81883 0.45937 1.00000
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