Dy4Ho4Tm3
Alexandria ALEXAlex-ID: agm005704853 · 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
A3B4C4_146_spg12
Dy5Ho HoTm5 Dy2Ho7
2023-06-29 21:26:41.126498
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005704853).
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 agm005704853
data_agm005704853
_cell_length_a 3.54625
_cell_length_b 9.21322
_cell_length_c 11.74341
_cell_angle_alpha 113.09618
_cell_angle_beta 98.68126
_cell_angle_gamma 89.99996
_cell_volume 348.14828
_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 0.74146 0.24147 0.48295 1.00000
Dy2 Dy 0.25854 0.75853 0.51705 1.00000
Dy3 Dy 0.50000 0.81562 1.00000 1.00000
Dy4 Dy 0.50000 0.18438 0.00000 1.00000
Ho1 Ho 0.64302 0.46378 0.28599 1.00000
Ho2 Ho 0.35698 0.17779 0.71401 1.00000
Ho3 Ho 0.35698 0.53622 0.71401 1.00000
Ho4 Ho 0.64302 0.82221 0.28599 1.00000
Tm1 Tm 0.89142 0.89141 0.78283 1.00000
Tm2 Tm 0.10858 0.10859 0.21717 1.00000
Tm3 Tm 0.00000 0.50000 0.00000 1.00000
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