Dy4Tm3Th
Alexandria ALEXAlex-ID: agm017490487 · 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
AB3C4_1214_spg10
Dy5Tm DyTm5 Tm2Th
2025-07-01 20:06:52
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017490487).
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 agm017490487
data_agm017490487
_cell_length_a 11.95377
_cell_length_b 11.95377
_cell_length_c 6.11758
_cell_angle_alpha 74.98374
_cell_angle_beta 105.01626
_cell_angle_gamma 162.92674
_cell_volume 247.68250
_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 0.87565 0.12435 0.70963 1.00000
Dy2 Dy 0.12435 0.87565 0.29037 1.00000
Dy3 Dy 0.74987 0.25013 0.24998 1.00000
Dy4 Dy 0.25013 0.74987 0.75002 1.00000
Tm1 Tm 0.50000 0.50000 0.00000 1.00000
Tm2 Tm 0.62392 0.37608 0.78576 1.00000
Tm3 Tm 0.37608 0.62392 0.21424 1.00000
Th1 Th 0.00000 0.00000 0.50000 1.00000
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