Tb8Pm6Y
Alexandria ALEXAlex-ID: agm066435656 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_71_spg148
Pm5Y PmY2 Tb5Pm3
2025-01-22 04:19:57
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm066435656).
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 agm066435656
data_agm066435656
_cell_length_a 6.26620
_cell_length_b 6.26043
_cell_length_c 14.97844
_cell_angle_alpha 77.87076
_cell_angle_beta 77.87637
_cell_angle_gamma 60.00752
_cell_volume 493.70723
_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 0.86570 0.53328 0.40180 1.00000
Tb2 Tb 0.46770 0.79989 0.59823 1.00000
Tb3 Tb 0.80080 0.13336 0.59819 1.00000
Tb4 Tb 0.66667 0.66668 0.99998 1.00000
Tb5 Tb 0.33333 0.33332 0.00002 1.00000
Tb6 Tb 0.19920 0.86664 0.40181 1.00000
Tb7 Tb 0.53230 0.20011 0.40177 1.00000
Tb8 Tb 0.13430 0.46672 0.59820 1.00000
Pm1 Pm 0.73297 0.40144 0.79878 1.00000
Pm2 Pm 0.59892 0.93261 0.20125 1.00000
Pm3 Pm 0.93301 0.26665 0.20123 1.00000
Pm4 Pm 0.06699 0.73335 0.79877 1.00000
Pm5 Pm 0.40108 0.06739 0.79875 1.00000
Pm6 Pm 0.26703 0.59856 0.20122 1.00000
Y1 Y 0.00000 0.00000 0.00000 1.00000
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