DyTm3(CoO3)4
Alexandria ALEXAlex-ID: agm011680409 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4D12_7_spg6
TmO2 DyO2 Co3O4 Tm2O3
2024-05-04 16:23:59.631641
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011680409).
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 agm011680409
data_agm011680409
_cell_length_a 7.29374
_cell_length_b 5.17096
_cell_length_c 5.74812
_cell_angle_alpha 90.13961
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 216.79363
_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 0.52450 0.58781 1.00000
Tm1 Tm 0.00000 0.97603 0.08572 1.00000
Tm2 Tm 0.50000 0.47433 0.40995 1.00000
Tm3 Tm 0.50000 0.02399 0.91413 1.00000
Co1 Co 0.25122 0.99937 0.49930 1.00000
Co2 Co 0.74938 0.50060 0.00042 1.00000
Co3 Co 0.74878 0.99937 0.49930 1.00000
Co4 Co 0.25062 0.50060 0.00042 1.00000
O1 O 0.30523 0.19706 0.17973 1.00000
O2 O 0.69395 0.30219 0.67870 1.00000
O3 O 0.80286 0.80581 0.82266 1.00000
O4 O 0.19730 0.69885 0.31781 1.00000
O5 O 0.19714 0.80581 0.82266 1.00000
O6 O 0.80270 0.69885 0.31781 1.00000
O7 O 0.69477 0.19706 0.17973 1.00000
O8 O 0.30605 0.30219 0.67870 1.00000
O9 O 0.00000 0.38300 0.96830 1.00000
O10 O 0.00000 0.10982 0.46246 1.00000
O11 O 0.50000 0.61780 0.03645 1.00000
O12 O 0.50000 0.88277 0.53793 1.00000
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