Gd2DyTaO6
Alexandria ALEXAlex-ID: agm002365232 · 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
ABC2D6_17_spg2
Gd2O3 Gd3TaO7 Dy2O3 Ta
2019-02-16 08:26:20
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002365232).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm002365232
data_agm002365232
_cell_length_a 5.73471
_cell_length_b 5.92254
_cell_length_c 5.61401
_cell_angle_alpha 120.45567
_cell_angle_beta 117.08430
_cell_angle_gamma 89.15195
_cell_volume 140.42683
_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
Gd1 Gd 0.25634 0.74366 0.45384 1.00000
Gd2 Gd 0.74366 0.25634 0.54616 1.00000
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
O1 O 0.83036 0.67989 0.02497 1.00000
O2 O 0.27088 0.72934 0.86503 1.00000
O3 O 0.72912 0.27066 0.13497 1.00000
O4 O 0.16964 0.32011 0.97503 1.00000
O5 O 0.32008 0.16972 0.51464 1.00000
O6 O 0.67992 0.83028 0.48536 1.00000
Ta1 Ta 0.50000 0.50000 0.00000 1.00000
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