Na2H7Pt
Alexandria ALEXAlex-ID: agm007299372 · 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
AB2C7_707_spg15
Na2H6Pt H2
2024-08-07 22:57:28.398620
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007299372).
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 agm007299372
data_agm007299372
_cell_length_a 5.30516
_cell_length_b 5.30516
_cell_length_c 9.28308
_cell_angle_alpha 68.88691
_cell_angle_beta 68.88691
_cell_angle_gamma 54.16407
_cell_volume 193.70213
_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 0.56363 0.15752 0.11679 1.00000
Na2 Na 0.15752 0.56363 0.61679 1.00000
Na3 Na 0.84248 0.43637 0.38321 1.00000
Na4 Na 0.43637 0.84248 0.88321 1.00000
H1 H 0.30857 0.91055 0.35664 1.00000
H2 H 0.91055 0.30857 0.85664 1.00000
H3 H 0.12538 0.15038 0.59912 1.00000
H4 H 0.57223 0.65106 0.14054 1.00000
H5 H 0.85897 0.14103 0.25000 1.00000
H6 H 0.15038 0.12538 0.09912 1.00000
H7 H 0.34894 0.42777 0.35946 1.00000
H8 H 0.65106 0.57223 0.64054 1.00000
H9 H 0.84962 0.87462 0.90088 1.00000
H10 H 0.14103 0.85897 0.75000 1.00000
H11 H 0.42777 0.34894 0.85946 1.00000
H12 H 0.87462 0.84962 0.40088 1.00000
H13 H 0.08945 0.69143 0.14336 1.00000
H14 H 0.69143 0.08945 0.64336 1.00000
Pt1 Pt 0.19353 0.80647 0.25000 1.00000
Pt2 Pt 0.80647 0.19353 0.75000 1.00000
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