La2Dy12Ho5
Alexandria ALEXAlex-ID: agm005660108 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C12_413_spg2
Dy5Ho LaDy4 LaHo2
2023-06-25 21:43:22.859048
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005660108).
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 agm005660108
data_agm005660108
_cell_length_a 6.75945
_cell_length_b 12.98783
_cell_length_c 12.32245
_cell_angle_alpha 139.46404
_cell_angle_beta 67.96780
_cell_angle_gamma 118.77982
_cell_volume 616.15727
_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
La1 La 0.91945 0.18901 0.11605 1.00000
La2 La 0.08055 0.81099 0.88395 1.00000
Dy1 Dy 0.87153 0.03202 0.28126 1.00000
Dy2 Dy 0.92640 0.64218 0.05574 1.00000
Dy3 Dy 0.51729 0.61325 0.92901 1.00000
Dy4 Dy 0.28963 0.60957 0.47574 1.00000
Dy5 Dy 0.85016 0.59349 0.36061 1.00000
Dy6 Dy 0.61209 0.03078 0.80339 1.00000
Dy7 Dy 0.38791 0.96922 0.19661 1.00000
Dy8 Dy 0.71037 0.39043 0.52426 1.00000
Dy9 Dy 0.14984 0.40651 0.63939 1.00000
Dy10 Dy 0.07360 0.35782 0.94426 1.00000
Dy11 Dy 0.48271 0.38675 0.07099 1.00000
Dy12 Dy 0.12847 0.96798 0.71874 1.00000
Ho1 Ho 0.60392 0.74872 0.76432 1.00000
Ho2 Ho 0.41372 0.78128 0.32096 1.00000
Ho3 Ho 0.00000 0.00000 0.50000 1.00000
Ho4 Ho 0.58628 0.21872 0.67904 1.00000
Ho5 Ho 0.39608 0.25128 0.23568 1.00000
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