U2H8Pt3
Alexandria ALEXAlex-ID: agm006367481 · 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
A2B3C8_525_spg2
U(H3Pt)4 U4H15 UPt3
2024-02-26 15:01:08
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006367481).
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 agm006367481
data_agm006367481
_cell_length_a 5.91521
_cell_length_b 3.98169
_cell_length_c 6.32562
_cell_angle_alpha 71.63563
_cell_angle_beta 66.50729
_cell_angle_gamma 70.33787
_cell_volume 125.81294
_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
U1 U 0.67553 0.28759 0.74947 1.00000
U2 U 0.32447 0.71241 0.25053 1.00000
H1 H 0.55205 0.14715 0.15393 1.00000
H2 H 0.44795 0.85285 0.84607 1.00000
H3 H 0.70921 0.67825 0.93405 1.00000
H4 H 0.29079 0.32175 0.06595 1.00000
H5 H 0.89492 0.78419 0.53722 1.00000
H6 H 0.23287 0.53339 0.69801 1.00000
H7 H 0.76713 0.46661 0.30199 1.00000
H8 H 0.10508 0.21581 0.46278 1.00000
Pt1 Pt 0.00000 0.50000 0.00000 1.00000
Pt2 Pt 0.25488 0.03892 0.66761 1.00000
Pt3 Pt 0.74512 0.96108 0.33239 1.00000
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