SmY2(TmP2)3
Alexandria ALEXAlex-ID: agm044808172 · 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
AB2C3D6_201_spg12
Y3TmP4 YTm3P4 SmP
2025-03-23 06:49:14
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044808172).
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 agm044808172
data_agm044808172
_cell_length_a 8.93884
_cell_length_b 8.93884
_cell_length_c 7.99458
_cell_angle_alpha 77.05249
_cell_angle_beta 102.94751
_cell_angle_gamma 154.16165
_cell_volume 270.95032
_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 0.50000 0.50000 0.00000 1.00000
Y1 Y 0.16604 0.83396 0.83176 1.00000
Y2 Y 0.83396 0.16604 0.16824 1.00000
Tm1 Tm 0.50000 0.50000 0.50000 1.00000
Tm2 Tm 0.83229 0.16771 0.66539 1.00000
Tm3 Tm 0.16771 0.83229 0.33461 1.00000
P1 P 0.33166 0.66834 0.91289 1.00000
P2 P 0.33347 0.66653 0.42009 1.00000
P3 P 0.66834 0.33166 0.08711 1.00000
P4 P 0.00153 0.99847 0.25784 1.00000
P5 P 0.99847 0.00153 0.74216 1.00000
P6 P 0.66653 0.33347 0.57991 1.00000
获取直接链接