Pm2Sm5Tm12
Alexandria ALEXAlex-ID: agm005662173 · 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
A2B5C12_344_spg2
SmTm15 Sm2Tm7 Pm2Sm3Tm
2023-06-26 03:46:01.959145
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005662173).
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 agm005662173
data_agm005662173
_cell_length_a 6.12858
_cell_length_b 12.75949
_cell_length_c 12.74561
_cell_angle_alpha 127.92785
_cell_angle_beta 85.29150
_cell_angle_gamma 124.13854
_cell_volume 595.62100
_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
Pm1 Pm 0.73680 0.15689 0.18325 1.00000
Pm2 Pm 0.26320 0.84311 0.81675 1.00000
Sm1 Sm 0.21125 0.47380 0.55312 1.00000
Sm2 Sm 0.52576 0.68403 0.13168 1.00000
Sm3 Sm 0.00000 0.00000 0.50000 1.00000
Sm4 Sm 0.47424 0.31597 0.86832 1.00000
Sm5 Sm 0.78875 0.52620 0.44688 1.00000
Tm1 Tm 0.15770 0.10386 0.28860 1.00000
Tm2 Tm 0.10428 0.73556 0.02592 1.00000
Tm3 Tm 0.68509 0.78917 0.92135 1.00000
Tm4 Tm 0.94887 0.63239 0.23698 1.00000
Tm5 Tm 0.36885 0.57979 0.34171 1.00000
Tm6 Tm 0.42274 0.94847 0.60524 1.00000
Tm7 Tm 0.57726 0.05153 0.39476 1.00000
Tm8 Tm 0.05113 0.36761 0.76302 1.00000
Tm9 Tm 0.63115 0.42021 0.65829 1.00000
Tm10 Tm 0.89572 0.26444 0.97408 1.00000
Tm11 Tm 0.31491 0.21083 0.07865 1.00000
Tm12 Tm 0.84230 0.89614 0.71140 1.00000
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