Tb2PrY8
Alexandria ALEXAlex-ID: agm005833554 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_286_spg12
Tb2Y7 TbPrY4 TbY15
2023-10-01 21:38:19
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005833554).
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 agm005833554
data_agm005833554
_cell_length_a 6.68712
_cell_length_b 6.69786
_cell_length_c 8.96216
_cell_angle_alpha 111.94238
_cell_angle_beta 98.74779
_cell_angle_gamma 90.00003
_cell_volume 367.29289
_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 0.30759 0.24375 0.48751 1.00000
Tb2 Tb 0.69241 0.75625 0.51249 1.00000
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.59134 0.17325 0.81950 1.00000
Y2 Y 0.40866 0.35375 0.18050 1.00000
Y3 Y 0.79930 0.20719 0.41439 1.00000
Y4 Y 0.20070 0.79281 0.58561 1.00000
Y5 Y 0.59134 0.64625 0.81950 1.00000
Y6 Y 0.40866 0.82675 0.18050 1.00000
Y7 Y 0.09646 0.41144 0.82289 1.00000
Y8 Y 0.90354 0.58856 0.17711 1.00000
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