Tb3(SmTm)4
Alexandria ALEXAlex-ID: agm005698310 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_55_spg71
TbSm4Tm Tb2Sm3Tm4 Tb2Sm
2023-07-02 01:57:15.208841
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698310).
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 agm005698310
data_agm005698310
_cell_length_a 3.56194
_cell_length_b 5.01894
_cell_length_c 19.81713
_cell_angle_alpha 97.26437
_cell_angle_beta 95.15740
_cell_angle_gamma 90.00960
_cell_volume 349.98395
_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
Tb1 Tb 0.63653 0.63641 0.27306 1.00000
Tb2 Tb 0.36344 0.36363 0.72695 1.00000
Tb3 Tb 0.00001 0.00001 0.00000 1.00000
Sm1 Sm 0.54588 0.54575 0.09164 1.00000
Sm2 Sm 0.45413 0.45428 0.90837 1.00000
Sm3 Sm 0.81771 0.81785 0.63519 1.00000
Sm4 Sm 0.18224 0.18217 0.36481 1.00000
Tm1 Tm 0.09151 0.09142 0.18311 1.00000
Tm2 Tm 0.27228 0.27237 0.54444 1.00000
Tm3 Tm 0.72764 0.72765 0.45554 1.00000
Tm4 Tm 0.90849 0.90861 0.81691 1.00000
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