HoH7Pt4
Alexandria ALEXAlex-ID: agm007336331 · 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
AB4C7_905_spg12
Ho(H3Pt)4 HoHPt3 H3Pt
2024-03-10 20:53:52.326069
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007336331).
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 agm007336331
data_agm007336331
_cell_length_a 4.91581
_cell_length_b 4.91501
_cell_length_c 5.66657
_cell_angle_alpha 89.16222
_cell_angle_beta 89.16978
_cell_angle_gamma 118.78568
_cell_volume 119.94379
_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 0.00000 0.00000 1.00000
H1 H 0.69620 0.69624 0.33691 1.00000
H2 H 0.30380 0.30376 0.66309 1.00000
H3 H 0.99635 0.69205 0.68703 1.00000
H4 H 0.00365 0.30795 0.31297 1.00000
H5 H 0.30805 0.00364 0.31279 1.00000
H6 H 0.50000 0.50000 0.00000 1.00000
H7 H 0.69195 0.99636 0.68721 1.00000
Pt1 Pt 0.33856 0.67228 0.25280 1.00000
Pt2 Pt 0.66144 0.32772 0.74720 1.00000
Pt3 Pt 0.67236 0.33858 0.25282 1.00000
Pt4 Pt 0.32764 0.66142 0.74718 1.00000
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