Mg(H2Pt)2
Alexandria ALEXAlex-ID: agm007293546 · 空间群: P2_1 (#4)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_4830_spg64
MgH6Pt H3Pt MgPt3
2024-02-09 07:06:27
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007293546).
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 agm007293546
data_agm007293546
_cell_length_a 8.25232
_cell_length_b 3.85119
_cell_length_c 4.30808
_cell_angle_alpha 91.37769
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 136.87664
_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
Mg1 Mg 0.24080 0.78498 0.74068 1.00000
Mg2 Mg 0.74080 0.21502 0.25932 1.00000
H1 H 0.87568 0.79405 0.53451 1.00000
H2 H 0.58440 0.65930 0.51716 1.00000
H3 H 0.08440 0.34070 0.48284 1.00000
H4 H 0.37568 0.20595 0.46549 1.00000
H5 H 0.23310 0.81395 0.21972 1.00000
H6 H 0.73310 0.18605 0.78028 1.00000
H7 H 0.09892 0.35025 0.98921 1.00000
H8 H 0.59892 0.64975 0.01080 1.00000
Pt1 Pt 0.51508 0.34371 0.75956 1.00000
Pt2 Pt 0.01508 0.65629 0.24044 1.00000
Pt3 Pt 0.95165 0.14217 0.75384 1.00000
Pt4 Pt 0.45165 0.85783 0.24616 1.00000
获取直接链接