HfMn(H4Pt)2
Alexandria ALEXAlex-ID: agm007405844 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_290_spg2
MnH2 HfMnH5 HfPt3 H2
2024-02-09 07:41:12
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007405844).
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 agm007405844
data_agm007405844
_cell_length_a 3.95968
_cell_length_b 5.38080
_cell_length_c 5.61400
_cell_angle_alpha 109.99445
_cell_angle_beta 93.87373
_cell_angle_gamma 107.73477
_cell_volume 105.07312
_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
Hf1 Hf 0.00000 0.00000 0.50000 1.00000
Mn1 Mn 0.00000 0.00000 0.00000 1.00000
H1 H 0.50855 0.35998 0.64382 1.00000
H2 H 0.88066 0.30143 0.10653 1.00000
H3 H 0.49145 0.64002 0.35618 1.00000
H4 H 0.32212 0.98373 0.20735 1.00000
H5 H 0.67788 0.01627 0.79265 1.00000
H6 H 0.79627 0.76171 0.11363 1.00000
H7 H 0.20373 0.23829 0.88637 1.00000
H8 H 0.11934 0.69857 0.89347 1.00000
Pt1 Pt 0.67287 0.30765 0.36285 1.00000
Pt2 Pt 0.32713 0.69235 0.63715 1.00000
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