SmDyH17
Alexandria ALEXAlex-ID: agm097196384 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC17_16_spg1
SmH3 DyH3 H2
2025-05-28 19:01:11
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097196384).
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 agm097196384
data_agm097196384
_cell_length_a 5.70126
_cell_length_b 6.80087
_cell_length_c 5.68190
_cell_angle_alpha 68.42453
_cell_angle_beta 89.52322
_cell_angle_gamma 68.50055
_cell_volume 188.57018
_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
Sm1 Sm 0.36389 0.45758 0.26308 1.00000
Dy1 Dy 0.76256 0.71470 0.66130 1.00000
H1 H 0.23599 0.87902 0.02288 1.00000
H2 H 0.99281 0.30913 0.77791 1.00000
H3 H 0.96177 0.97381 0.53483 1.00000
H4 H 0.07475 0.87114 0.63449 1.00000
H5 H 0.89733 0.30600 0.87551 1.00000
H6 H 0.13855 0.88068 0.11766 1.00000
H7 H 0.02680 0.31423 0.27966 1.00000
H8 H 0.55865 0.59617 0.46232 1.00000
H9 H 0.39844 0.30394 0.93259 1.00000
H10 H 0.49787 0.20127 0.04599 1.00000
H11 H 0.06773 0.58848 0.94961 1.00000
H12 H 0.13419 0.21219 0.38615 1.00000
H13 H 0.58464 0.57484 0.96823 1.00000
H14 H 0.04791 0.60214 0.44748 1.00000
H15 H 0.55043 0.07833 0.46799 1.00000
H16 H 0.74886 0.86021 0.98283 1.00000
H17 H 0.64217 0.96150 0.87483 1.00000
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