NaPm(H3Pt)2
Alexandria ALEXAlex-ID: agm004945902 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_1196_spg15
PmH3Pt Na2H6Pt Pm(HPt)3
2022-07-23 13:45:27.420163
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004945902).
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 agm004945902
data_agm004945902
_cell_length_a 6.10497
_cell_length_b 6.10497
_cell_length_c 7.65543
_cell_angle_alpha 107.23950
_cell_angle_beta 107.23950
_cell_angle_gamma 80.78518
_cell_volume 259.44307
_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
Na1 Na 0.09980 0.90020 0.25000 1.00000
Na2 Na 0.90020 0.09980 0.75000 1.00000
Pm1 Pm 0.57009 0.42991 0.25000 1.00000
Pm2 Pm 0.42991 0.57009 0.75000 1.00000
H1 H 0.93759 0.25088 0.25682 1.00000
H2 H 0.74912 0.06241 0.24318 1.00000
H3 H 0.06241 0.74912 0.74318 1.00000
H4 H 0.25088 0.93759 0.75682 1.00000
H5 H 0.16776 0.37663 0.14433 1.00000
H6 H 0.62337 0.83224 0.35567 1.00000
H7 H 0.83224 0.62337 0.85567 1.00000
H8 H 0.37663 0.16776 0.64433 1.00000
H9 H 0.29347 0.66491 0.44896 1.00000
H10 H 0.33509 0.70653 0.05104 1.00000
H11 H 0.70653 0.33509 0.55104 1.00000
H12 H 0.66491 0.29347 0.94896 1.00000
Pt1 Pt 0.45678 0.10761 0.85336 1.00000
Pt2 Pt 0.89239 0.54322 0.64664 1.00000
Pt3 Pt 0.54322 0.89239 0.14664 1.00000
Pt4 Pt 0.10761 0.45678 0.35336 1.00000
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