Sm3Ho6Tm2Tl
Alexandria ALEXAlex-ID: agm004650697 · 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
AB2C3D6_178_spg12
SmHo5 Sm2Ho7 HoTm5 Sm5Tl3
2022-06-29 19:37:15.860336
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004650697).
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 agm004650697
data_agm004650697
_cell_length_a 6.11457
_cell_length_b 6.11457
_cell_length_c 11.58032
_cell_angle_alpha 95.08331
_cell_angle_beta 95.08331
_cell_angle_gamma 120.02048
_cell_volume 368.94461
_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
Sm1 Sm 0.16676 0.83324 0.50000 1.00000
Sm2 Sm 0.83324 0.16676 0.50000 1.00000
Sm3 Sm 0.50000 0.50000 0.50000 1.00000
Ho1 Ho 0.91976 0.59048 0.75622 1.00000
Ho2 Ho 0.75096 0.75096 0.24530 1.00000
Ho3 Ho 0.08024 0.40952 0.24378 1.00000
Ho4 Ho 0.59048 0.91976 0.75622 1.00000
Ho5 Ho 0.24904 0.24904 0.75470 1.00000
Ho6 Ho 0.40952 0.08024 0.24378 1.00000
Tm1 Tm 0.33414 0.66586 0.00000 1.00000
Tm2 Tm 0.66586 0.33414 0.00000 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
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