ErH4Os2Pt
Alexandria ALEXAlex-ID: agm007490013 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_711_spg1
ErH5Os ErHPt3 Er(H3Pt)4 Os
2024-03-05 11:10:38.179064
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007490013).
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 agm007490013
data_agm007490013
_cell_length_a 4.54440
_cell_length_b 5.23007
_cell_length_c 4.58858
_cell_angle_alpha 103.81557
_cell_angle_beta 117.37235
_cell_angle_gamma 103.43852
_cell_volume 86.32517
_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
Er1 Er 0.01114 0.56968 0.15060 1.00000
H1 H 0.60617 0.28025 0.29958 1.00000
H2 H 0.56620 0.67947 0.70538 1.00000
H3 H 0.12341 0.28007 0.70816 1.00000
H4 H 0.58664 0.72106 0.22582 1.00000
Os1 Os 0.52643 0.95643 0.99994 1.00000
Os2 Os 0.88212 0.95692 0.68675 1.00000
Pt1 Pt 0.31083 0.16906 0.44968 1.00000
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