UPPt
Alexandria ALEXAlex-ID: agm002178809 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_6_spg62
U3P4 UPt3 P2Pt
2018-06-17 06:14:20
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002178809).
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 agm002178809
data_agm002178809
_cell_length_a 3.84245
_cell_length_b 7.33476
_cell_length_c 7.74709
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 218.33971
_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
P1 P 0.25000 0.74970 0.35689 1.00000
P2 P 0.25000 0.24970 0.14311 1.00000
P3 P 0.75000 0.25030 0.64311 1.00000
P4 P 0.75000 0.75030 0.85689 1.00000
U1 U 0.75000 0.53643 0.17422 1.00000
U2 U 0.25000 0.96357 0.67422 1.00000
U3 U 0.75000 0.03643 0.32578 1.00000
U4 U 0.25000 0.46357 0.82578 1.00000
Pt1 Pt 0.25000 0.84463 0.04350 1.00000
Pt2 Pt 0.25000 0.34463 0.45650 1.00000
Pt3 Pt 0.75000 0.65537 0.54350 1.00000
Pt4 Pt 0.75000 0.15537 0.95650 1.00000
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