NaHo(H3Pt)2
Alexandria ALEXAlex-ID: agm007462178 · 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_573_spg15
HoHPt3 HoH3Pt Na2H6Pt Ho(H3Pt)4
2025-05-27 19:28:26
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007462178).
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 agm007462178
data_agm007462178
_cell_length_a 6.11701
_cell_length_b 6.11701
_cell_length_c 5.79916
_cell_angle_alpha 80.91706
_cell_angle_beta 99.08294
_cell_angle_gamma 77.39593
_cell_volume 204.90106
_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 0.57749 0.57749 0.75000 1.00000
Na2 Na 0.42251 0.42251 0.25000 1.00000
Ho1 Ho 0.15510 0.15510 0.75000 1.00000
Ho2 Ho 0.84490 0.84490 0.25000 1.00000
H1 H 0.56254 0.90979 0.88521 1.00000
H2 H 0.90979 0.56254 0.61479 1.00000
H3 H 0.43746 0.09021 0.11479 1.00000
H4 H 0.09021 0.43746 0.38521 1.00000
H5 H 0.81982 0.19472 0.98308 1.00000
H6 H 0.19472 0.81982 0.51692 1.00000
H7 H 0.18018 0.80528 0.01692 1.00000
H8 H 0.80528 0.18018 0.48308 1.00000
H9 H 0.45847 0.27690 0.63572 1.00000
H10 H 0.27690 0.45847 0.86428 1.00000
H11 H 0.54153 0.72310 0.36428 1.00000
H12 H 0.72310 0.54153 0.13572 1.00000
Pt1 Pt 0.94781 0.31496 0.19441 1.00000
Pt2 Pt 0.31496 0.94781 0.30559 1.00000
Pt3 Pt 0.05219 0.68504 0.80559 1.00000
Pt4 Pt 0.68504 0.05219 0.69441 1.00000
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