TmSc(InRh2)2
Alexandria ALEXAlex-ID: agm017706138 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_43_spg5
TmSc3(InRh2)4 TmInRh2
2024-10-26 02:47:10.253915
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017706138).
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 agm017706138
data_agm017706138
_cell_length_a 7.99669
_cell_length_b 7.99669
_cell_length_c 7.99669
_cell_angle_alpha 33.45562
_cell_angle_beta 33.45562
_cell_angle_gamma 33.45562
_cell_volume 138.40853
_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 0.00000 0.00000 0.00000 1.00000
Sc1 Sc 0.50000 0.50000 0.50000 1.00000
In1 In 0.75091 0.75091 0.75091 1.00000
In2 In 0.24909 0.24909 0.24909 1.00000
Rh1 Rh 0.12653 0.12653 0.12653 1.00000
Rh2 Rh 0.37691 0.37691 0.37691 1.00000
Rh3 Rh 0.87347 0.87347 0.87347 1.00000
Rh4 Rh 0.62309 0.62309 0.62309 1.00000
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