HoIO
Alexandria ALEXAlex-ID: agm002176567 · 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
ABC_49_spg12
HoIO
2018-06-17 02:34:35
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002176567).
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 agm002176567
data_agm002176567
_cell_length_a 4.05108
_cell_length_b 7.72281
_cell_length_c 10.90093
_cell_angle_alpha 93.80340
_cell_angle_beta 100.71576
_cell_angle_gamma 90.00030
_cell_volume 334.33157
_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
I1 I 0.11108 0.34820 0.22206 1.00000
I2 I 0.41108 0.15796 0.82259 1.00000
I3 I 0.58892 0.84204 0.17741 1.00000
I4 I 0.88892 0.65180 0.77794 1.00000
Ho1 Ho 0.29941 0.38548 0.59873 1.00000
Ho2 Ho 0.69964 0.11656 0.39935 1.00000
Ho3 Ho 0.70059 0.61452 0.40127 1.00000
Ho4 Ho 0.30036 0.88344 0.60065 1.00000
O1 O 0.24560 0.62743 0.49126 1.00000
O2 O 0.75339 0.87876 0.50675 1.00000
O3 O 0.75440 0.37257 0.50874 1.00000
O4 O 0.24661 0.12124 0.49325 1.00000
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