Tm2ScVO6
Alexandria ALEXAlex-ID: agm004952016 · 空间群: R3 (#146)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_266_spg146
Tm3ScO6 TmVO3 Sc2O3
2022-07-31 05:51:03.014477
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004952016).
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 agm004952016
data_agm004952016
_cell_length_a 5.48210
_cell_length_b 5.48312
_cell_length_c 5.74342
_cell_angle_alpha 61.51581
_cell_angle_beta 61.51212
_cell_angle_gamma 59.98567
_cell_volume 124.78127
_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 0.53044 0.53052 0.40861 1.00000
Tm2 Tm 0.02680 0.02665 0.92013 1.00000
Sc1 Sc 0.81127 0.81131 0.56621 1.00000
V1 V 0.31553 0.31563 0.05332 1.00000
O1 O 0.59820 0.19275 0.25863 1.00000
O2 O 0.19247 0.95030 0.25896 1.00000
O3 O 0.95047 0.59818 0.25848 1.00000
O4 O 0.44429 0.68585 0.76339 1.00000
O5 O 0.68554 0.10636 0.76391 1.00000
O6 O 0.10658 0.44404 0.76356 1.00000
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