HoMn(H4Pt)2
Alexandria ALEXAlex-ID: agm007404276 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_557_spg2
HoMnH5 Ho(H3Pt)4 MnH2 MnPt
2024-03-05 22:58:40.395647
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007404276).
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 agm007404276
data_agm007404276
_cell_length_a 3.73421
_cell_length_b 4.58370
_cell_length_c 8.49574
_cell_angle_alpha 120.78458
_cell_angle_beta 77.43185
_cell_angle_gamma 114.06869
_cell_volume 114.05879
_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
Ho1 Ho 0.00000 0.50000 0.50000 1.00000
Mn1 Mn 0.00000 0.00000 0.00000 1.00000
H1 H 0.31026 0.09900 0.47593 1.00000
H2 H 0.46408 0.64668 0.72180 1.00000
H3 H 0.68974 0.90100 0.52407 1.00000
H4 H 0.63419 0.25149 0.97662 1.00000
H5 H 0.36581 0.74851 0.02338 1.00000
H6 H 0.85301 0.49569 0.78778 1.00000
H7 H 0.14699 0.50431 0.21222 1.00000
H8 H 0.53592 0.35332 0.27820 1.00000
Pt1 Pt 0.65642 0.06368 0.75083 1.00000
Pt2 Pt 0.34358 0.93632 0.24917 1.00000
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