Tb6Pr2Sm
Alexandria ALEXAlex-ID: agm005582002 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_673_spg71
Tb4PrSm3 Tb5Pr Tb4Pr3Sm
2023-07-09 05:52:38.106083
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005582002).
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 agm005582002
data_agm005582002
_cell_length_a 3.52162
_cell_length_b 9.87093
_cell_length_c 9.87093
_cell_angle_alpha 63.71642
_cell_angle_beta 79.76071
_cell_angle_gamma 79.76070
_cell_volume 300.84204
_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 0.82188 0.34354 0.01103 1.00000
Tb2 Tb 0.17812 0.98897 0.65646 1.00000
Tb3 Tb 0.17812 0.65646 0.98897 1.00000
Tb4 Tb 0.50000 0.31197 0.68803 1.00000
Tb5 Tb 0.82188 0.01103 0.34354 1.00000
Tb6 Tb 0.50000 0.68803 0.31197 1.00000
Pr1 Pr 0.84410 0.65679 0.65679 1.00000
Pr2 Pr 0.15590 0.34321 0.34321 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
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