Tb4Pr7Tm
Alexandria ALEXAlex-ID: agm003670195 · 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
AB4C7_93_spg12
Tb5Pr3 Pr TbTm5
2022-04-27 18:14:33.416273
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003670195).
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 agm003670195
data_agm003670195
_cell_length_a 6.05313
_cell_length_b 9.89195
_cell_length_c 8.69859
_cell_angle_alpha 60.83748
_cell_angle_beta 69.63877
_cell_angle_gamma 72.18392
_cell_volume 420.44581
_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 0.57121 0.30401 0.55357 1.00000
Tb2 Tb 0.42879 0.69599 0.44643 1.00000
Tb3 Tb 0.67251 0.61107 0.04390 1.00000
Tb4 Tb 0.32749 0.38893 0.95610 1.00000
Pr1 Pr 0.79198 0.87956 0.53648 1.00000
Pr2 Pr 0.20802 0.12044 0.46352 1.00000
Pr3 Pr 0.08337 0.55757 0.27568 1.00000
Pr4 Pr 0.91663 0.44243 0.72432 1.00000
Pr5 Pr 0.20875 0.77047 0.81202 1.00000
Pr6 Pr 0.50000 0.00000 0.00000 1.00000
Pr7 Pr 0.79125 0.22953 0.18798 1.00000
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
获取直接链接