PmDy(H3Pt)2
Alexandria ALEXAlex-ID: agm007709724 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_120_spg15
DyH3Pt PmH3Pt
2025-03-29 06:50:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007709724).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm007709724
data_agm007709724
_cell_length_a 6.13461
_cell_length_b 6.13461
_cell_length_c 6.39781
_cell_angle_alpha 77.62133
_cell_angle_beta 102.37867
_cell_angle_gamma 77.52475
_cell_volume 220.87716
_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 0.15624 0.15624 0.75000 1.00000
Pm2 Pm 0.84376 0.84376 0.25000 1.00000
Dy1 Dy 0.58823 0.58823 0.75000 1.00000
Dy2 Dy 0.41177 0.41177 0.25000 1.00000
H1 H 0.56000 0.91834 0.87780 1.00000
H2 H 0.91834 0.56000 0.62220 1.00000
H3 H 0.44000 0.08166 0.12220 1.00000
H4 H 0.08166 0.44000 0.37780 1.00000
H5 H 0.83374 0.20845 0.97560 1.00000
H6 H 0.20845 0.83374 0.52440 1.00000
H7 H 0.16626 0.79155 0.02440 1.00000
H8 H 0.79155 0.16626 0.47560 1.00000
H9 H 0.44990 0.31456 0.61820 1.00000
H10 H 0.31456 0.44990 0.88180 1.00000
H11 H 0.55010 0.68544 0.38180 1.00000
H12 H 0.68544 0.55010 0.11820 1.00000
Pt1 Pt 0.94194 0.32705 0.17711 1.00000
Pt2 Pt 0.32705 0.94194 0.32289 1.00000
Pt3 Pt 0.05806 0.67295 0.82289 1.00000
Pt4 Pt 0.67295 0.05806 0.67711 1.00000
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