Tb2Pm2Sm5
Alexandria ALEXAlex-ID: agm009370529 · 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
A2B2C5_312_spg12
PmSm2 Tb4Pm3Sm Sm
2024-05-05 05:52:39.850417
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009370529).
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 agm009370529
data_agm009370529
_cell_length_a 8.10732
_cell_length_b 8.10732
_cell_length_c 10.87796
_cell_angle_alpha 77.09366
_cell_angle_beta 77.09366
_cell_angle_gamma 25.68715
_cell_volume 301.67631
_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 0.66729 0.66729 0.10992 1.00000
Tb2 Tb 0.33271 0.33271 0.89008 1.00000
Pm1 Pm 0.00036 0.00036 0.33203 1.00000
Pm2 Pm 0.99964 0.99964 0.66797 1.00000
Sm1 Sm 0.33281 0.33281 0.22074 1.00000
Sm2 Sm 0.66719 0.66719 0.77926 1.00000
Sm3 Sm 0.66674 0.66674 0.44375 1.00000
Sm4 Sm 0.33326 0.33326 0.55625 1.00000
Sm5 Sm 0.00000 0.00000 0.00000 1.00000
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