Tb4Dy2ErTm2
Alexandria ALEXAlex-ID: agm030282373 · 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
AB2C2D4_27_spg8
TbDy5 Tb5Dy ErTm2
2025-04-01 22:11:11
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm030282373).
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 agm030282373
data_agm030282373
_cell_length_a 9.42216
_cell_length_b 9.42216
_cell_length_c 9.44888
_cell_angle_alpha 64.64122
_cell_angle_beta 115.35878
_cell_angle_gamma 158.24954
_cell_volume 279.72753
_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 0.81455 0.18545 0.16692 1.00000
Tb2 Tb 0.18545 0.81455 0.83308 1.00000
Tb3 Tb 0.51879 0.48121 0.83446 1.00000
Tb4 Tb 0.48121 0.51879 0.16554 1.00000
Dy1 Dy 0.33331 0.66669 0.50134 1.00000
Dy2 Dy 0.66669 0.33331 0.49866 1.00000
Er1 Er 0.00000 0.00000 0.50000 1.00000
Tm1 Tm 0.85191 0.14809 0.83300 1.00000
Tm2 Tm 0.14809 0.85191 0.16700 1.00000
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