NaHo(H3Au)2
Alexandria ALEXAlex-ID: agm007464575 · 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_13_spg15
HoH11 HoH3 NaAu2
2025-05-27 03:50:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007464575).
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 agm007464575
data_agm007464575
_cell_length_a 6.55764
_cell_length_b 6.55764
_cell_length_c 5.91649
_cell_angle_alpha 78.79454
_cell_angle_beta 101.20547
_cell_angle_gamma 91.45281
_cell_volume 244.79631
_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 0.57837 0.57837 0.25000 1.00000
Na2 Na 0.42163 0.42163 0.75000 1.00000
Ho1 Ho 0.12244 0.12244 0.25000 1.00000
Ho2 Ho 0.87756 0.87756 0.75000 1.00000
H1 H 0.70509 0.84401 0.39364 1.00000
H2 H 0.84401 0.70509 0.10636 1.00000
H3 H 0.29491 0.15599 0.60636 1.00000
H4 H 0.15599 0.29491 0.89364 1.00000
H5 H 0.89317 0.16108 0.47459 1.00000
H6 H 0.16108 0.89317 0.02541 1.00000
H7 H 0.10683 0.83892 0.52541 1.00000
H8 H 0.83892 0.10683 0.97459 1.00000
H9 H 0.44165 0.27922 0.13750 1.00000
H10 H 0.27922 0.44165 0.36250 1.00000
H11 H 0.55835 0.72078 0.86250 1.00000
H12 H 0.72078 0.55835 0.63750 1.00000
Au1 Au 0.92441 0.40506 0.76738 1.00000
Au2 Au 0.40506 0.92441 0.73262 1.00000
Au3 Au 0.07559 0.59494 0.23262 1.00000
Au4 Au 0.59494 0.07559 0.26738 1.00000
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