Ho2ErIr
Alexandria ALEXAlex-ID: agm005708702 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_50_spg62
Ho3Ir HoEr2Ir
2023-07-15 11:25:50.668858
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005708702).
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 agm005708702
data_agm005708702
_cell_length_a 6.36346
_cell_length_b 7.18879
_cell_length_c 9.19627
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 420.68864
_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 0.17513 0.67785 0.06233 1.00000
Ho2 Ho 0.32487 0.17785 0.43767 1.00000
Ho3 Ho 0.82487 0.32215 0.56233 1.00000
Ho4 Ho 0.67513 0.82215 0.93767 1.00000
Ho5 Ho 0.82487 0.32215 0.93767 1.00000
Ho6 Ho 0.67513 0.82215 0.56233 1.00000
Ho7 Ho 0.17513 0.67785 0.43767 1.00000
Ho8 Ho 0.32487 0.17785 0.06233 1.00000
Er1 Er 0.62986 0.53421 0.25000 1.00000
Er2 Er 0.87014 0.03421 0.25000 1.00000
Er3 Er 0.37014 0.46579 0.75000 1.00000
Er4 Er 0.12986 0.96579 0.75000 1.00000
Ir1 Ir 0.04217 0.38471 0.25000 1.00000
Ir2 Ir 0.45783 0.88471 0.25000 1.00000
Ir3 Ir 0.95783 0.61529 0.75000 1.00000
Ir4 Ir 0.54217 0.11529 0.75000 1.00000
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