TbY3Ir2
Alexandria ALEXAlex-ID: agm034773301 · 空间群: Pmc2_1 (#26)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_208_spg26
Y7Ir3 Y5Ir3 Tb5Ir3
2025-01-01 11:18:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034773301).
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 agm034773301
data_agm034773301
_cell_length_a 4.65128
_cell_length_b 7.24647
_cell_length_c 8.79645
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 296.48807
_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 0.50000 0.50955 0.91164 1.00000
Tb2 Tb 0.50000 0.00955 0.08836 1.00000
Y1 Y 0.00000 0.49020 0.58736 1.00000
Y2 Y 0.00000 0.99020 0.41264 1.00000
Y3 Y 0.50000 0.64127 0.33160 1.00000
Y4 Y 0.50000 0.14127 0.66840 1.00000
Y5 Y 0.00000 0.35888 0.16868 1.00000
Y6 Y 0.00000 0.85888 0.83132 1.00000
Ir1 Ir 0.50000 0.74237 0.65756 1.00000
Ir2 Ir 0.50000 0.24237 0.34244 1.00000
Ir3 Ir 0.00000 0.25749 0.84265 1.00000
Ir4 Ir 0.00000 0.75749 0.15735 1.00000
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