Pr3SnPt3
Alexandria ALEXAlex-ID: agm012547876 · 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
AB3C3_34_spg12
PrSnPt PrPt
2024-06-27 15:30:22.497276
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012547876).
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 agm012547876
data_agm012547876
_cell_length_a 6.15545
_cell_length_b 6.15545
_cell_length_c 14.80211
_cell_angle_alpha 70.62643
_cell_angle_beta 70.62643
_cell_angle_gamma 41.41866
_cell_volume 346.91529
_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
Pr1 Pr 0.48518 0.48518 0.87937 1.00000
Pr2 Pr 0.51482 0.51482 0.12063 1.00000
Pr3 Pr 0.74003 0.74003 0.27992 1.00000
Pr4 Pr 0.25997 0.25997 0.72008 1.00000
Pr5 Pr 0.60853 0.60853 0.57476 1.00000
Pr6 Pr 0.39147 0.39147 0.42524 1.00000
Sn1 Sn 0.22932 0.22932 0.10391 1.00000
Sn2 Sn 0.77068 0.77068 0.89609 1.00000
Pt1 Pt 0.12876 0.12876 0.95348 1.00000
Pt2 Pt 0.87124 0.87124 0.04652 1.00000
Pt3 Pt 0.87702 0.87702 0.57512 1.00000
Pt4 Pt 0.12298 0.12298 0.42488 1.00000
Pt5 Pt 0.00930 0.00930 0.27552 1.00000
Pt6 Pt 0.99070 0.99070 0.72448 1.00000
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