Tb5(DyY6)2
Alexandria ALEXAlex-ID: agm003369372 · 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
A2B5C12_28_spg12
Tb2Y7 DyY5 Tb5Dy
2022-02-08 13:04:30.641287
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003369372).
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 agm003369372
data_agm003369372
_cell_length_a 9.33172
_cell_length_b 9.05519
_cell_length_c 8.63066
_cell_angle_alpha 91.69076
_cell_angle_beta 90.00000
_cell_angle_gamma 121.01544
_cell_volume 624.65529
_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 0.23003 0.46005 0.57185 1.00000
Tb2 Tb 0.29550 0.59101 0.97957 1.00000
Tb3 Tb 0.00000 0.00000 0.50000 1.00000
Tb4 Tb 0.70450 0.40899 0.02043 1.00000
Tb5 Tb 0.76997 0.53995 0.42815 1.00000
Dy1 Dy 0.67226 0.00000 1.00000 1.00000
Dy2 Dy 0.32774 1.00000 0.00000 1.00000
Y1 Y 0.92468 0.84936 0.12713 1.00000
Y2 Y 0.03000 0.70112 0.76224 1.00000
Y3 Y 0.67112 0.70112 0.76224 1.00000
Y4 Y 0.17934 0.74135 0.33333 1.00000
Y5 Y 0.56201 0.74135 0.33333 1.00000
Y6 Y 0.44240 0.88480 0.66653 1.00000
Y7 Y 0.55760 0.11520 0.33347 1.00000
Y8 Y 0.82066 0.25865 0.66667 1.00000
Y9 Y 0.43799 0.25865 0.66667 1.00000
Y10 Y 0.97000 0.29888 0.23776 1.00000
Y11 Y 0.32888 0.29888 0.23776 1.00000
Y12 Y 0.07532 0.15064 0.87287 1.00000
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