Tb3Pm2DySb6
Alexandria ALEXAlex-ID: agm047017262 · 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
AB2C3D6_529_spg12
TbPm3Sb4 TbDy3Sb4 Tb3DySb4
2025-01-16 02:39:19
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm047017262).
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 agm047017262
data_agm047017262
_cell_length_a 7.67497
_cell_length_b 7.67497
_cell_length_c 7.67071
_cell_angle_alpha 80.40902
_cell_angle_beta 99.59098
_cell_angle_gamma 59.99387
_cell_volume 368.91661
_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 0.16826 0.16826 0.50000 1.00000
Tb2 Tb 0.83174 0.83174 0.50000 1.00000
Tb3 Tb 0.50000 0.50000 0.50000 1.00000
Pm1 Pm 0.33392 0.33392 0.00000 1.00000
Pm2 Pm 0.66608 0.66608 0.00000 1.00000
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
Sb1 Sb 0.41378 0.91589 0.25297 1.00000
Sb2 Sb 0.24436 0.75564 0.74537 1.00000
Sb3 Sb 0.58622 0.08411 0.74703 1.00000
Sb4 Sb 0.08411 0.58622 0.25297 1.00000
Sb5 Sb 0.75564 0.24436 0.25463 1.00000
Sb6 Sb 0.91589 0.41378 0.74703 1.00000
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