ZrSb(H3Pt)2
Alexandria ALEXAlex-ID: agm007705829 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_2609_spg2
Zr4H15 ZrPt3 Sb2Pt H2
2025-05-27 21:02:30
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007705829).
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 agm007705829
data_agm007705829
_cell_length_a 6.41074
_cell_length_b 6.41621
_cell_length_c 6.62215
_cell_angle_alpha 75.83509
_cell_angle_beta 75.81540
_cell_angle_gamma 67.42976
_cell_volume 240.37810
_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
Zr1 Zr 0.54362 0.95669 0.74995 1.00000
Zr2 Zr 0.54888 0.95133 0.24989 1.00000
Sb1 Sb 0.98091 0.51854 0.25017 1.00000
Sb2 Sb 0.98238 0.51746 0.75005 1.00000
H1 H 0.54163 0.77139 0.54453 1.00000
H2 H 0.30436 0.11248 0.01599 1.00000
H3 H 0.38740 0.19573 0.48408 1.00000
H4 H 0.72918 0.95851 0.95528 1.00000
H5 H 0.84698 0.08142 0.21393 1.00000
H6 H 0.56156 0.29392 0.09579 1.00000
H7 H 0.19813 0.97886 0.77661 1.00000
H8 H 0.37949 0.63789 0.91076 1.00000
H9 H 0.86187 0.12021 0.58922 1.00000
H10 H 0.52148 0.30172 0.72367 1.00000
H11 H 0.20649 0.93827 0.40486 1.00000
H12 H 0.41648 0.65519 0.28518 1.00000
Pt1 Pt 0.61037 0.57689 0.07466 1.00000
Pt2 Pt 0.11912 0.16429 0.55110 1.00000
Pt3 Pt 0.33560 0.38060 0.94915 1.00000
Pt4 Pt 0.92408 0.88861 0.42512 1.00000
获取直接链接