La2Dy5Ho4
Alexandria ALEXAlex-ID: agm005646930 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_292_spg12
Dy5Ho LaDy4 LaHo2
2023-06-21 21:40:13.796821
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646930).
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 agm005646930
data_agm005646930
_cell_length_a 3.44151
_cell_length_b 8.78418
_cell_length_c 12.09188
_cell_angle_alpha 96.85274
_cell_angle_beta 98.18025
_cell_angle_gamma 90.00076
_cell_volume 359.19029
_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 0.90746 0.25363 0.81491 1.00000
La2 La 0.09254 0.74637 0.18509 1.00000
Dy1 Dy 0.14093 0.12579 0.28185 1.00000
Dy2 Dy 0.85907 0.87421 0.71815 1.00000
Dy3 Dy 0.23443 0.82535 0.46884 1.00000
Dy4 Dy 0.50000 0.00000 0.00000 1.00000
Dy5 Dy 0.76557 0.17465 0.53116 1.00000
Ho1 Ho 0.67852 0.47308 0.35704 1.00000
Ho2 Ho 0.04643 0.36226 0.09285 1.00000
Ho3 Ho 0.32148 0.52692 0.64296 1.00000
Ho4 Ho 0.95357 0.63774 0.90715 1.00000
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