DyEr5Tm8
Alexandria ALEXAlex-ID: agm006113573 · 空间群: I-4 (#82)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C8_5_spg82
Er2Tm ErTm2 Dy7Er2
2023-08-11 02:50:37.481032
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006113573).
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 agm006113573
data_agm006113573
_cell_length_a 8.29860
_cell_length_b 8.29859
_cell_length_c 8.29861
_cell_angle_alpha 110.97388
_cell_angle_beta 106.50617
_cell_angle_gamma 110.97378
_cell_volume 439.06066
_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 0.25000 0.50000 0.75000 1.00000
Er1 Er 0.03633 0.32366 0.13489 1.00000
Er2 Er 0.86511 0.90144 0.18877 1.00000
Er3 Er 0.81123 0.67634 0.71267 1.00000
Er4 Er 0.50000 0.00000 0.50000 1.00000
Er5 Er 0.28733 0.09856 0.96367 1.00000
Tm1 Tm 0.16152 0.73850 0.08030 1.00000
Tm2 Tm 0.91970 0.08122 0.65820 1.00000
Tm3 Tm 0.72915 0.25338 0.33456 1.00000
Tm4 Tm 0.66544 0.39459 0.91882 1.00000
Tm5 Tm 0.52423 0.60541 0.27084 1.00000
Tm6 Tm 0.57698 0.91878 0.83848 1.00000
Tm7 Tm 0.34180 0.26150 0.42302 1.00000
Tm8 Tm 0.08118 0.74662 0.47577 1.00000
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