CaDy4NbAl4O15
Alexandria ALEXAlex-ID: agm010747752 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4D4E15_0_spg65
Dy3Al5O12 Ca2Nb2O7 CaNb2O4 Ca4Nb2O9 Dy2O3
2024-07-12 01:37:08.593659
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010747752).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm010747752
data_agm010747752
_cell_length_a 13.74189
_cell_length_b 13.74189
_cell_length_c 3.81648
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 157.74986
_cell_volume 272.89451
_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
Ca1 Ca 0.00000 0.00000 0.50000 1.00000
Dy1 Dy 0.61059 0.38941 0.50000 1.00000
Dy2 Dy 0.19885 0.80115 0.50000 1.00000
Dy3 Dy 0.80115 0.19885 0.50000 1.00000
Dy4 Dy 0.38941 0.61059 0.50000 1.00000
Nb1 Nb 0.50000 0.50000 0.00000 1.00000
Al1 Al 0.10439 0.89561 0.00000 1.00000
Al2 Al 0.70258 0.29742 0.00000 1.00000
Al3 Al 0.29742 0.70258 0.00000 1.00000
Al4 Al 0.89561 0.10439 0.00000 1.00000
O1 O 0.10113 0.40697 0.00000 1.00000
O2 O 0.89887 0.59303 0.00000 1.00000
O3 O 0.50000 0.00000 0.00000 1.00000
O4 O 0.69978 0.81188 0.00000 1.00000
O5 O 0.30022 0.18812 0.00000 1.00000
O6 O 0.18812 0.30022 0.00000 1.00000
O7 O 0.00000 0.50000 0.00000 1.00000
O8 O 0.59303 0.89887 0.00000 1.00000
O9 O 0.81188 0.69978 0.00000 1.00000
O10 O 0.40697 0.10113 0.00000 1.00000
O11 O 0.88902 0.11098 0.50000 1.00000
O12 O 0.69929 0.30071 0.50000 1.00000
O13 O 0.30071 0.69929 0.50000 1.00000
O14 O 0.50000 0.50000 0.50000 1.00000
O15 O 0.11098 0.88902 0.50000 1.00000
