Tb4Sm3Tm5
Alexandria ALEXAlex-ID: agm005698632 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C5_119_spg2
Tb2SmTm6 Tb(SmTm3)2 Tb2Sm
2023-06-29 13:22:06.399798
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698632).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005698632
data_agm005698632
_cell_length_a 7.09330
_cell_length_b 11.20810
_cell_length_c 12.77757
_cell_angle_alpha 151.29267
_cell_angle_beta 56.36754
_cell_angle_gamma 129.26154
_cell_volume 377.79937
_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 0.91763 0.83555 0.66827 1.00000
Tb2 Tb 0.83162 0.66399 0.83249 1.00000
Tb3 Tb 0.16838 0.33601 0.16751 1.00000
Tb4 Tb 0.08237 0.16445 0.33173 1.00000
Sm1 Sm 0.58325 0.16610 0.33290 1.00000
Sm2 Sm 0.00000 0.00000 0.50000 1.00000
Sm3 Sm 0.41675 0.83390 0.66710 1.00000
Tm1 Tm 0.33134 0.66605 0.83455 1.00000
Tm2 Tm 0.50000 0.00000 0.50000 1.00000
Tm3 Tm 0.75001 0.50062 0.00057 1.00000
Tm4 Tm 0.24999 0.49938 0.99943 1.00000
Tm5 Tm 0.66866 0.33395 0.16545 1.00000
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