Tm2CoPtO6
Alexandria ALEXAlex-ID: agm002364950 · 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
Tm2Pt2O7 Co3O4 Tm2O3 Pt
2019-02-15 23:34:22
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002364950).
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 agm002364950
data_agm002364950
_cell_length_a 5.67361
_cell_length_b 5.60300
_cell_length_c 5.37638
_cell_angle_alpha 61.33087
_cell_angle_beta 61.71005
_cell_angle_gamma 56.58766
_cell_volume 119.93111
_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
Tm1 Tm 0.71439 0.78310 0.75118 1.00000
Tm2 Tm 0.28561 0.21690 0.24882 1.00000
Co1 Co 0.50000 0.50000 0.50000 1.00000
O1 O 0.33554 0.82862 0.16743 1.00000
O2 O 0.66441 0.17145 0.33157 1.00000
O3 O 0.10906 0.36447 0.76314 1.00000
O4 O 0.66446 0.17138 0.83257 1.00000
O5 O 0.89094 0.63553 0.23686 1.00000
O6 O 0.33559 0.82855 0.66843 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
获取直接链接