Dy3Ho8Sc3
Alexandria ALEXAlex-ID: agm005691372 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B3C8_60_spg71
Dy2Ho7 Dy5Ho Sc
2023-06-29 11:11:56.188381
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005691372).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005691372
data_agm005691372
_cell_length_a 5.31050
_cell_length_b 10.15848
_cell_length_c 10.15789
_cell_angle_alpha 56.16768
_cell_angle_beta 74.84687
_cell_angle_gamma 74.84788
_cell_volume 434.75751
_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 0.50021 0.00000 0.00000 1.00000
Dy2 Dy 0.00003 0.74485 0.25515 1.00000
Dy3 Dy 0.00003 0.25515 0.74485 1.00000
Ho1 Ho 0.62221 0.11546 0.64008 1.00000
Ho2 Ho 0.37775 0.88454 0.35993 1.00000
Ho3 Ho 0.62221 0.64011 0.11542 1.00000
Ho4 Ho 0.37775 0.35990 0.88457 1.00000
Ho5 Ho 0.79845 0.85782 0.54522 1.00000
Ho6 Ho 0.20149 0.14218 0.45478 1.00000
Ho7 Ho 0.79846 0.54519 0.85781 1.00000
Ho8 Ho 0.20147 0.45481 0.14219 1.00000
Sc1 Sc 0.50002 0.50000 0.50000 1.00000
Sc2 Sc 0.83281 0.16714 0.16715 1.00000
Sc3 Sc 0.16711 0.83286 0.83285 1.00000
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