Dy3(YZr4)2
Alexandria ALEXAlex-ID: agm010230756 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C8_1033_spg2
Dy5Y DyY5 Zr
2024-06-06 11:59:32.562490
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010230756).
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 agm010230756
data_agm010230756
_cell_length_a 5.68652
_cell_length_b 5.72128
_cell_length_c 12.19116
_cell_angle_alpha 117.72960
_cell_angle_beta 95.05116
_cell_angle_gamma 100.14890
_cell_volume 338.94041
_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 0.00000 0.00000 0.00000 1.00000
Dy2 Dy 0.47084 0.90662 0.82604 1.00000
Dy3 Dy 0.52916 0.09338 0.17396 1.00000
Y1 Y 0.22549 0.44472 0.90635 1.00000
Y2 Y 0.77451 0.55528 0.09365 1.00000
Zr1 Zr 0.92389 0.82545 0.67446 1.00000
Zr2 Zr 0.07611 0.17455 0.32554 1.00000
Zr3 Zr 0.84515 0.70671 0.39558 1.00000
Zr4 Zr 0.15485 0.29329 0.60442 1.00000
Zr5 Zr 0.70030 0.36166 0.74212 1.00000
Zr6 Zr 0.61437 0.23447 0.46560 1.00000
Zr7 Zr 0.38563 0.76553 0.53440 1.00000
Zr8 Zr 0.29970 0.63834 0.25788 1.00000
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