MnSn(H3Pt)2
Alexandria ALEXAlex-ID: agm007757536 · 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_543_spg15
MnPt H10Pt MnH2 SnPt
2024-03-05 17:20:14.344293
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007757536).
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 agm007757536
data_agm007757536
_cell_length_a 7.01241
_cell_length_b 7.01241
_cell_length_c 5.03409
_cell_angle_alpha 70.19280
_cell_angle_beta 70.19280
_cell_angle_gamma 95.44807
_cell_volume 212.87999
_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
Mn1 Mn 0.28193 0.71807 0.25000 1.00000
Mn2 Mn 0.71807 0.28193 0.75000 1.00000
Sn1 Sn 0.87591 0.12409 0.25000 1.00000
Sn2 Sn 0.12409 0.87591 0.75000 1.00000
H1 H 0.31769 0.99734 0.04318 1.00000
H2 H 0.00266 0.68231 0.45682 1.00000
H3 H 0.68231 0.00266 0.95682 1.00000
H4 H 0.99734 0.31769 0.54318 1.00000
H5 H 0.34068 0.39881 0.28435 1.00000
H6 H 0.60119 0.65932 0.21565 1.00000
H7 H 0.65932 0.60119 0.71565 1.00000
H8 H 0.39881 0.34068 0.78435 1.00000
H9 H 0.57069 0.19530 0.17310 1.00000
H10 H 0.80470 0.42931 0.32690 1.00000
H11 H 0.42931 0.80470 0.82690 1.00000
H12 H 0.19530 0.57069 0.67310 1.00000
Pt1 Pt 0.17804 0.31848 0.68357 1.00000
Pt2 Pt 0.68152 0.82196 0.81643 1.00000
Pt3 Pt 0.82196 0.68152 0.31643 1.00000
Pt4 Pt 0.31848 0.17804 0.18357 1.00000
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