Ho6AlIr2
Alexandria ALEXAlex-ID: agm005806507 · 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
AB2C6_712_spg71
Ho2Al3Ir Ho4AlIr Ho7Ir3
2023-07-06 10:46:47.341662
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005806507).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005806507
data_agm005806507
_cell_length_a 8.40815
_cell_length_b 8.40815
_cell_length_c 8.40815
_cell_angle_alpha 103.62386
_cell_angle_beta 112.13716
_cell_angle_gamma 112.80698
_cell_volume 454.05101
_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 0.53459 0.71449 0.82010 1.00000
Ho2 Ho 0.46541 0.28551 0.17990 1.00000
Ho3 Ho 0.10561 0.28551 0.82010 1.00000
Ho4 Ho 0.89439 0.71449 0.17990 1.00000
Ho5 Ho 0.80212 0.76015 0.56226 1.00000
Ho6 Ho 0.19788 0.23985 0.43773 1.00000
Ho7 Ho 0.19788 0.76015 0.95804 1.00000
Ho8 Ho 0.80212 0.23985 0.04197 1.00000
Ho9 Ho 0.69218 0.35976 0.66758 1.00000
Ho10 Ho 0.30782 0.64024 0.33242 1.00000
Ho11 Ho 0.30782 0.97540 0.66758 1.00000
Ho12 Ho 0.69218 0.02460 0.33242 1.00000
Al1 Al 0.00000 0.50000 0.50000 1.00000
Al2 Al 0.00000 0.00000 0.00000 1.00000
Ir1 Ir 0.50000 0.36656 0.86656 1.00000
Ir2 Ir 0.50000 0.63344 0.13344 1.00000
Ir3 Ir 0.67731 0.00000 0.67731 1.00000
Ir4 Ir 0.32269 1.00000 0.32269 1.00000
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