Nd3Dy(YS3)2
Alexandria ALEXAlex-ID: agm004600549 · 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_175_spg12
NdDy4S5 NdY4S5 Nd4YS5
2022-06-30 04:53:21.757261
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004600549).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm004600549
data_agm004600549
_cell_length_a 6.88229
_cell_length_b 6.88229
_cell_length_c 6.97733
_cell_angle_alpha 99.44141
_cell_angle_beta 99.44141
_cell_angle_gamma 120.16534
_cell_volume 269.83604
_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
Nd1 Nd 0.16710 0.83290 0.50000 1.00000
Nd2 Nd 0.83290 0.16710 0.50000 1.00000
Nd3 Nd 0.50000 0.50000 0.50000 1.00000
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.33330 0.66670 0.00000 1.00000
Y2 Y 0.66670 0.33330 0.00000 1.00000
S1 S 0.92180 0.58918 0.76505 1.00000
S2 S 0.74573 0.74573 0.23533 1.00000
S3 S 0.07820 0.41082 0.23495 1.00000
S4 S 0.58918 0.92180 0.76505 1.00000
S5 S 0.25427 0.25427 0.76467 1.00000
S6 S 0.41082 0.07820 0.23495 1.00000
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