TbHo3(ErIr3)2
Alexandria ALEXAlex-ID: agm043608889 · 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
AB2C3D6_208_spg12
TbHo2Ir3 HoEr2Ir3
2024-11-03 04:32:30.369765
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm043608889).
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 agm043608889
data_agm043608889
_cell_length_a 8.29971
_cell_length_b 8.29971
_cell_length_c 4.75953
_cell_angle_alpha 73.35453
_cell_angle_beta 73.35453
_cell_angle_gamma 118.61851
_cell_volume 238.20710
_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
Tb1 Tb 0.00000 0.00000 0.50000 1.00000
Ho1 Ho 0.16704 0.83296 0.00000 1.00000
Ho2 Ho 0.83296 0.16704 0.00000 1.00000
Ho3 Ho 0.50000 0.50000 0.00000 1.00000
Er1 Er 0.33318 0.66682 0.50000 1.00000
Er2 Er 0.66682 0.33318 0.50000 1.00000
Ir1 Ir 0.91608 0.58124 0.75129 1.00000
Ir2 Ir 0.74729 0.74729 0.25267 1.00000
Ir3 Ir 0.08392 0.41876 0.24871 1.00000
Ir4 Ir 0.58124 0.91608 0.75129 1.00000
Ir5 Ir 0.25271 0.25271 0.74733 1.00000
Ir6 Ir 0.41876 0.08392 0.24871 1.00000
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