Pm3(DySn2)2
Alexandria ALEXAlex-ID: agm032607459 · 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_216_spg64
Pm5Sn4 Pm2Dy3Sn4
2025-03-02 04:04:42
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032607459).
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 agm032607459
data_agm032607459
_cell_length_a 8.10039
_cell_length_b 8.39117
_cell_length_c 8.37977
_cell_angle_alpha 89.99953
_cell_angle_beta 90.00202
_cell_angle_gamma 111.03466
_cell_volume 531.63256
_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
Pm1 Pm 0.50000 0.50000 0.50000 1.00000
Pm2 Pm 0.00000 0.50000 0.00000 1.00000
Pm3 Pm 0.56296 0.19366 0.17998 1.00000
Pm4 Pm 0.93703 0.80627 0.67992 1.00000
Pm5 Pm 0.43704 0.80634 0.82002 1.00000
Pm6 Pm 0.06297 0.19373 0.32008 1.00000
Dy1 Dy 0.73722 0.24580 0.66830 1.00000
Dy2 Dy 0.76275 0.75425 0.16827 1.00000
Dy3 Dy 0.26278 0.75420 0.33170 1.00000
Dy4 Dy 0.23725 0.24575 0.83173 1.00000
Sn1 Sn 0.33473 0.07947 0.53909 1.00000
Sn2 Sn 0.16524 0.92049 0.03911 1.00000
Sn3 Sn 0.66527 0.92053 0.46091 1.00000
Sn4 Sn 0.83476 0.07951 0.96089 1.00000
Sn5 Sn 0.63322 0.51201 0.86656 1.00000
Sn6 Sn 0.86676 0.48803 0.36655 1.00000
Sn7 Sn 0.36678 0.48799 0.13344 1.00000
Sn8 Sn 0.13324 0.51197 0.63345 1.00000
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