UZn(H3Pt)2
Alexandria ALEXAlex-ID: agm007999596 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_2371_spg15
U4H15 U(H3Pt)4 H10Pt ZnPt
2024-02-09 01:47:03
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007999596).
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}
}
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# CIF generated by HEAS from Alexandria entry agm007999596
data_agm007999596
_cell_length_a 7.01124
_cell_length_b 7.01124
_cell_length_c 4.44402
_cell_angle_alpha 88.75807
_cell_angle_beta 88.75807
_cell_angle_gamma 115.65957
_cell_volume 196.75011
_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 0.32587 0.67413 0.75000 1.00000
U2 U 0.67413 0.32587 0.25000 1.00000
Zn1 Zn 0.91636 0.08364 0.75000 1.00000
Zn2 Zn 0.08364 0.91636 0.25000 1.00000
H1 H 0.31611 0.96332 0.47687 1.00000
H2 H 0.03668 0.68389 0.02313 1.00000
H3 H 0.68389 0.03668 0.52313 1.00000
H4 H 0.96332 0.31611 0.97687 1.00000
H5 H 0.34340 0.36838 0.48813 1.00000
H6 H 0.63162 0.65660 0.01187 1.00000
H7 H 0.65660 0.63162 0.51187 1.00000
H8 H 0.36838 0.34340 0.98813 1.00000
H9 H 0.56975 0.16532 0.77958 1.00000
H10 H 0.83468 0.43025 0.72042 1.00000
H11 H 0.43025 0.83468 0.22042 1.00000
H12 H 0.16532 0.56975 0.27958 1.00000
Pt1 Pt 0.13736 0.31843 0.24077 1.00000
Pt2 Pt 0.68157 0.86264 0.25923 1.00000
Pt3 Pt 0.86264 0.68157 0.75923 1.00000
Pt4 Pt 0.31843 0.13736 0.74077 1.00000
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