DyHo3Tm8
Alexandria ALEXAlex-ID: agm005961707 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C8_9_spg139
Dy5Ho HoTm5 Dy2Ho7
2023-09-08 00:48:28.975047
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005961707).
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 agm005961707
data_agm005961707
_cell_length_a 7.56914
_cell_length_b 7.56914
_cell_length_c 9.28045
_cell_angle_alpha 114.06672
_cell_angle_beta 114.06672
_cell_angle_gamma 90.00000
_cell_volume 434.36447
_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 0.00000 0.00000 0.00000 1.00000
Ho1 Ho 0.25000 0.75000 0.50000 1.00000
Ho2 Ho 0.50000 0.50000 0.00000 1.00000
Ho3 Ho 0.75000 0.25000 0.50000 1.00000
Tm1 Tm 0.87497 0.37532 0.25029 1.00000
Tm2 Tm 0.37532 0.37532 0.25029 1.00000
Tm3 Tm 0.12503 0.12503 0.74971 1.00000
Tm4 Tm 0.62468 0.12503 0.74971 1.00000
Tm5 Tm 0.37532 0.87497 0.25029 1.00000
Tm6 Tm 0.87497 0.87497 0.25029 1.00000
Tm7 Tm 0.62468 0.62468 0.74971 1.00000
Tm8 Tm 0.12503 0.62468 0.74971 1.00000
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