MnH4Pd2Pt
Alexandria ALEXAlex-ID: agm007484643 · 空间群: I-4 (#82)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_940_spg44
MnPt2 H4Pd HPd Mn5PdPt4
2024-03-15 17:56:34.791242
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007484643).
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 agm007484643
data_agm007484643
_cell_length_a 4.33916
_cell_length_b 4.34332
_cell_length_c 5.08521
_cell_angle_alpha 115.24013
_cell_angle_beta 115.25389
_cell_angle_gamma 90.00896
_cell_volume 76.43634
_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 0.48528 0.98602 0.97187 1.00000
H1 H 0.61648 0.10724 0.70639 1.00000
H2 H 0.36570 0.38303 0.23815 1.00000
H3 H 0.87178 0.85485 0.23672 1.00000
H4 H 0.08976 0.59822 0.70546 1.00000
Pd1 Pd 0.98605 0.48591 0.97188 1.00000
Pd2 Pd 0.23554 0.23518 0.47109 1.00000
Pt1 Pt 0.73646 0.73660 0.47255 1.00000
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