PmDy2(ZnSn)2
Alexandria ALEXAlex-ID: agm004549693 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_139_spg166
DyZn3 PmZnSn Dy2Zn3Sn Pm2Dy3Sn4
2022-06-23 04:12:51.689311
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004549693).
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 agm004549693
data_agm004549693
_cell_length_a 4.66502
_cell_length_b 4.66502
_cell_length_c 9.73396
_cell_angle_alpha 76.13553
_cell_angle_beta 76.13553
_cell_angle_gamma 60.00000
_cell_volume 176.29172
_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 0.00000 0.00000 0.00000 1.00000
Dy1 Dy 0.13172 0.13172 0.60484 1.00000
Dy2 Dy 0.86828 0.86828 0.39516 1.00000
Zn1 Zn 0.57860 0.57860 0.26419 1.00000
Zn2 Zn 0.42140 0.42140 0.73581 1.00000
Sn1 Sn 0.73418 0.73418 0.79746 1.00000
Sn2 Sn 0.26582 0.26582 0.20254 1.00000
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