DyTcSbH2
Alexandria ALEXAlex-ID: agm007458480 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD2_26_spg63
Tc4H3 DyH3 DyTcSb3 DySb
2024-03-10 17:30:55.248020
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007458480).
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 agm007458480
data_agm007458480
_cell_length_a 5.69817
_cell_length_b 5.69817
_cell_length_c 6.23821
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 137.51925
_cell_volume 136.79020
_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
Dy1 Dy 0.29452 0.70548 0.25000 1.00000
Dy2 Dy 0.70548 0.29452 0.75000 1.00000
Tc1 Tc 0.00000 0.00000 0.50000 1.00000
Tc2 Tc 0.00000 0.00000 0.00000 1.00000
Sb1 Sb 0.57931 0.42069 0.25000 1.00000
Sb2 Sb 0.42069 0.57931 0.75000 1.00000
H1 H 0.83379 0.16621 0.43723 1.00000
H2 H 0.16621 0.83379 0.56277 1.00000
H3 H 0.83379 0.16621 0.06277 1.00000
H4 H 0.16621 0.83379 0.93723 1.00000
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