Tb2Pr3Sn4
Alexandria ALEXAlex-ID: agm030663045 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_884_spg14
Pr5Sn4 Tb3(PrSn2)2
2025-01-16 06:05:43
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm030663045).
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}
}
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# CIF generated by HEAS from Alexandria entry agm030663045
data_agm030663045
_cell_length_a 8.18601
_cell_length_b 8.47122
_cell_length_c 8.44839
_cell_angle_alpha 90.00000
_cell_angle_beta 110.65369
_cell_angle_gamma 90.00000
_cell_volume 548.20431
_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 0.76050 0.32994 0.25358 1.00000
Tb2 Tb 0.73950 0.82994 0.74642 1.00000
Tb3 Tb 0.23950 0.67006 0.74642 1.00000
Tb4 Tb 0.26050 0.17006 0.25358 1.00000
Pr1 Pr 0.00000 0.50000 0.00000 1.00000
Pr2 Pr 0.50000 0.00000 0.00000 1.00000
Pr3 Pr 0.93408 0.82062 0.30621 1.00000
Pr4 Pr 0.56592 0.32062 0.69379 1.00000
Pr5 Pr 0.06592 0.17938 0.69379 1.00000
Pr6 Pr 0.43408 0.67938 0.30621 1.00000
Sn1 Sn 0.16086 0.46003 0.42234 1.00000
Sn2 Sn 0.33914 0.96003 0.57766 1.00000
Sn3 Sn 0.83914 0.53997 0.57766 1.00000
Sn4 Sn 0.66086 0.03997 0.42234 1.00000
Sn5 Sn 0.86859 0.13132 0.98946 1.00000
Sn6 Sn 0.63141 0.63132 0.01054 1.00000
Sn7 Sn 0.13141 0.86868 0.01054 1.00000
Sn8 Sn 0.36859 0.36868 0.98946 1.00000
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