Tb5Dy3Tm
Alexandria ALEXAlex-ID: agm005962221 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_369_spg15
DyTm5 TbDy5 Tb5Dy
2023-08-01 11:43:14.845146
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005962221).
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 agm005962221
data_agm005962221
_cell_length_a 6.66367
_cell_length_b 8.68312
_cell_length_c 11.56984
_cell_angle_alpha 73.80686
_cell_angle_beta 90.00000
_cell_angle_gamma 112.56394
_cell_volume 589.33892
_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
Tb1 Tb 0.21236 1.00000 0.75000 1.00000
Tb2 Tb 0.76109 0.63378 0.95054 1.00000
Tb3 Tb 0.91940 0.43277 0.23560 1.00000
Tb4 Tb 0.23891 0.36622 0.04946 1.00000
Tb5 Tb 0.48663 0.56723 0.26440 1.00000
Tb6 Tb 0.78764 0.00000 0.25000 1.00000
Tb7 Tb 0.87269 0.63378 0.45054 1.00000
Tb8 Tb 0.12731 0.36622 0.54946 1.00000
Tb9 Tb 0.51337 0.43277 0.73560 1.00000
Tb10 Tb 0.08060 0.56723 0.76440 1.00000
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
Dy2 Dy 0.55689 0.21378 0.48207 1.00000
Dy3 Dy 0.00000 0.00000 0.50000 1.00000
Dy4 Dy 0.44311 0.78622 0.51793 1.00000
Dy5 Dy 0.65689 0.21378 0.98207 1.00000
Dy6 Dy 0.34311 0.78622 0.01793 1.00000
Tm1 Tm 0.70542 1.00000 0.75000 1.00000
Tm2 Tm 0.29458 0.00000 0.25000 1.00000
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