Na3Ho3AuO8
Alexandria ALEXAlex-ID: agm004683028 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C3D8_44_spg12
NaO4 NaHoO2 NaAuO2 Ho2O3
2022-07-03 01:53:41.368609
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004683028).
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 agm004683028
data_agm004683028
_cell_length_a 6.77215
_cell_length_b 6.71857
_cell_length_c 6.82824
_cell_angle_alpha 119.99869
_cell_angle_beta 90.00000
_cell_angle_gamma 120.26416
_cell_volume 218.80622
_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 0.00000 0.00000 0.00000 1.00000
Na2 Na 0.00000 0.50000 0.00000 1.00000
Na3 Na 0.50000 0.50000 0.00000 1.00000
Ho1 Ho 0.50000 0.00000 0.50000 1.00000
Ho2 Ho 0.50000 0.50000 0.50000 1.00000
Ho3 Ho 0.00000 0.50000 0.50000 1.00000
Au1 Au 0.00000 0.00000 0.50000 1.00000
O1 O 0.26241 0.52482 0.29428 1.00000
O2 O 0.73759 0.47518 0.70572 1.00000
O3 O 0.78075 0.56149 0.30172 1.00000
O4 O 0.21925 0.43851 0.69828 1.00000
O5 O 0.76405 0.01972 0.28794 1.00000
O6 O 0.23595 0.98028 0.71206 1.00000
O7 O 0.25568 0.01972 0.28794 1.00000
O8 O 0.74432 0.98028 0.71206 1.00000
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