PmH6Pt2Rh
Alexandria ALEXAlex-ID: agm004972001 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_1055_spg166
Pm(H3Pt)4 PmH5PtRh Pm(HPt)3 H8Rh3
2022-07-23 14:53:59.120037
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004972001).
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 agm004972001
data_agm004972001
_cell_length_a 4.83768
_cell_length_b 4.80475
_cell_length_c 5.55198
_cell_angle_alpha 89.98470
_cell_angle_beta 115.32747
_cell_angle_gamma 119.78693
_cell_volume 97.45761
_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
Pm1 Pm 0.99654 0.49776 0.48022 1.00000
H1 H 0.66686 0.05042 0.70183 1.00000
H2 H 0.32627 0.94507 0.25869 1.00000
H3 H 0.88964 0.94428 0.25901 1.00000
H4 H 0.32626 0.38014 0.25870 1.00000
H5 H 0.66688 0.61545 0.70181 1.00000
H6 H 0.10349 0.05126 0.70154 1.00000
Pt1 Pt 0.42304 0.71104 0.11806 1.00000
Pt2 Pt 0.57006 0.28449 0.84240 1.00000
Rh1 Rh 0.99654 0.99776 0.98026 1.00000
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