Ho2ScIr
Alexandria ALEXAlex-ID: agm005708643 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_4274_spg44
Ho3Ir Sc11Ir4 Ho
2023-07-13 11:37:23.896511
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005708643).
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 agm005708643
data_agm005708643
_cell_length_a 5.15571
_cell_length_b 6.20159
_cell_length_c 8.44983
_cell_angle_alpha 65.20582
_cell_angle_beta 72.23718
_cell_angle_gamma 65.43807
_cell_volume 220.25832
_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
Ho1 Ho 0.17301 0.24057 0.41349 1.00000
Ho2 Ho 0.82699 0.75943 0.58651 1.00000
Ho3 Ho 0.17294 0.74057 0.91349 1.00000
Ho4 Ho 0.82706 0.25943 0.08651 1.00000
Sc1 Sc 0.50066 0.25000 0.75000 1.00000
Sc2 Sc 0.49934 0.75000 0.25000 1.00000
Ir1 Ir 0.99935 0.75000 0.25000 1.00000
Ir2 Ir 0.00065 0.25000 0.75000 1.00000
获取直接链接