TmSc2O6
Alexandria ALEXAlex-ID: agm097797644 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_6278_spg8
ScO5 Sc2O3 TmO2
2025-04-07 04:57:17
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097797644).
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 agm097797644
data_agm097797644
_cell_length_a 3.89373
_cell_length_b 4.21088
_cell_length_c 8.68862
_cell_angle_alpha 103.92646
_cell_angle_beta 94.05489
_cell_angle_gamma 89.99553
_cell_volume 137.90401
_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 0.61437 0.38263 0.73804 1.00000
Sc1 Sc 0.14411 0.98328 0.94058 1.00000
Sc2 Sc 0.68651 0.15352 0.27763 1.00000
O1 O 0.68845 0.58396 0.13889 1.00000
O2 O 0.61359 0.26286 0.49776 1.00000
O3 O 0.13042 0.44065 0.85503 1.00000
O4 O 0.80877 0.66194 0.29478 1.00000
O5 O 0.62748 0.93259 0.83849 1.00000
O6 O 0.18629 0.09857 0.16880 1.00000
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