PmHo2O6
Alexandria ALEXAlex-ID: agm097098445 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_4691_spg2
HoO2 PmO2
2025-04-07 04:51:21
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097098445).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm097098445
data_agm097098445
_cell_length_a 3.75261
_cell_length_b 4.44625
_cell_length_c 9.29062
_cell_angle_alpha 103.72978
_cell_angle_beta 98.56056
_cell_angle_gamma 90.01462
_cell_volume 148.80492
_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
Pm1 Pm 0.64079 0.35460 0.79088 1.00000
Ho1 Ho 0.22716 0.97074 0.02481 1.00000
Ho2 Ho 0.86725 0.15606 0.39639 1.00000
O1 O 0.20548 0.43983 0.96254 1.00000
O2 O 0.66683 0.68621 0.45710 1.00000
O3 O 0.67997 0.90585 0.89418 1.00000
O4 O 0.30578 0.09099 0.26574 1.00000
O5 O 0.08815 0.27356 0.63020 1.00000
O6 O 0.81859 0.62217 0.32816 1.00000
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