Dy2Y5HoSc
Alexandria ALEXAlex-ID: agm005152840 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_252_spg36
Dy5Ho Y5Ho DyY5 Sc
2023-01-19 13:54:04.278381
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005152840).
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 agm005152840
data_agm005152840
_cell_length_a 5.56398
_cell_length_b 10.82978
_cell_length_c 9.82197
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 104.88522
_cell_volume 571.97952
_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 0.89416 0.78832 0.81636 1.00000
Dy2 Dy 0.12169 0.24337 0.71642 1.00000
Dy3 Dy 0.10584 0.21168 0.31636 1.00000
Dy4 Dy 0.87831 0.75663 0.21642 1.00000
Y1 Y 0.36312 0.72625 0.03048 1.00000
Y2 Y 0.74864 0.49727 0.86649 1.00000
Y3 Y 0.48179 0.96359 0.73293 1.00000
Y4 Y 0.30604 0.61207 0.70538 1.00000
Y5 Y 0.97936 0.95872 0.50568 1.00000
Y6 Y 0.63688 0.27375 0.53048 1.00000
Y7 Y 0.25136 0.50273 0.36649 1.00000
Y8 Y 0.51821 0.03642 0.23293 1.00000
Y9 Y 0.69396 0.38793 0.20538 1.00000
Y10 Y 0.02064 0.04128 0.00568 1.00000
Ho1 Ho 0.60489 0.20978 0.92519 1.00000
Ho2 Ho 0.39511 0.79022 0.42519 1.00000
Sc1 Sc 0.81383 0.62766 0.52505 1.00000
Sc2 Sc 0.18617 0.37234 0.02505 1.00000
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