DyScB8
Alexandria ALEXAlex-ID: agm024277497 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC8_15_spg65
DyB12 DyB4 ScB2
2024-11-14 03:17:21.897981
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024277497).
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 agm024277497
data_agm024277497
_cell_length_a 7.02579
_cell_length_b 7.02579
_cell_length_c 3.96937
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 91.76037
_cell_volume 195.84241
_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 0.68392 0.68392 0.00000 1.00000
Dy2 Dy 0.31608 0.31608 0.00000 1.00000
Sc1 Sc 0.17740 0.82260 0.00000 1.00000
Sc2 Sc 0.82260 0.17740 0.00000 1.00000
B1 B 0.50000 0.00000 0.79720 1.00000
B2 B 0.00000 0.50000 0.79720 1.00000
B3 B 0.50000 0.00000 0.20280 1.00000
B4 B 0.00000 0.50000 0.20280 1.00000
B5 B 0.32226 0.03466 0.50000 1.00000
B6 B 0.67774 0.96534 0.50000 1.00000
B7 B 0.82242 0.45817 0.50000 1.00000
B8 B 0.17758 0.54183 0.50000 1.00000
B9 B 0.54183 0.17758 0.50000 1.00000
B10 B 0.45817 0.82242 0.50000 1.00000
B11 B 0.96534 0.67774 0.50000 1.00000
B12 B 0.03466 0.32226 0.50000 1.00000
B13 B 0.41542 0.58458 0.50000 1.00000
B14 B 0.58458 0.41542 0.50000 1.00000
B15 B 0.91235 0.91235 0.50000 1.00000
B16 B 0.08765 0.08765 0.50000 1.00000
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