Sm3(PaTc2)2
Alexandria ALEXAlex-ID: agm005669292 · 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
A2B3C4_361_spg12
Sm2PaTc2 PaTc2
2023-06-29 03:41:36.466682
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005669292).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005669292
data_agm005669292
_cell_length_a 4.35100
_cell_length_b 6.00991
_cell_length_c 8.97300
_cell_angle_alpha 101.25944
_cell_angle_beta 89.99992
_cell_angle_gamma 111.22205
_cell_volume 213.87268
_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 0.37503 0.75005 0.61549 1.00000
Sm2 Sm 0.00000 0.00000 0.00000 1.00000
Sm3 Sm 0.62497 0.24995 0.38451 1.00000
Pa1 Pa 0.32684 0.65367 0.22169 1.00000
Pa2 Pa 0.67316 0.34633 0.77831 1.00000
Tc1 Tc 0.72481 0.44962 0.09660 1.00000
Tc2 Tc 0.08860 0.17719 0.63386 1.00000
Tc3 Tc 0.91140 0.82281 0.36614 1.00000
Tc4 Tc 0.27519 0.55038 0.90340 1.00000
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