Tb2Pm3Sm
Alexandria ALEXAlex-ID: agm017408738 · 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
AB2C3_1465_spg15
PmSm2 Tb4Pm3Sm Pm
2025-04-15 07:47:53
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017408738).
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 agm017408738
data_agm017408738
_cell_length_a 9.56641
_cell_length_b 9.56641
_cell_length_c 10.24638
_cell_angle_alpha 57.65168
_cell_angle_beta 122.34832
_cell_angle_gamma 148.97015
_cell_volume 401.99868
_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 0.08342 0.91658 0.45922 1.00000
Tb2 Tb 0.91658 0.08342 0.54078 1.00000
Tb3 Tb 0.25005 0.74995 0.87559 1.00000
Tb4 Tb 0.74995 0.25005 0.12441 1.00000
Pm1 Pm 0.91614 0.08386 0.04188 1.00000
Pm2 Pm 0.08386 0.91614 0.95812 1.00000
Pm3 Pm 0.41649 0.58351 0.29234 1.00000
Pm4 Pm 0.58351 0.41649 0.70766 1.00000
Pm5 Pm 0.25033 0.74967 0.37469 1.00000
Pm6 Pm 0.74967 0.25033 0.62531 1.00000
Sm1 Sm 0.58335 0.41665 0.20903 1.00000
Sm2 Sm 0.41665 0.58335 0.79097 1.00000
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