Tb8Y6Mn
Alexandria ALEXAlex-ID: agm072829563 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_0_spg148
Tb2Y7 Tb5Y Mn
2024-10-06 18:47:26.403524
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072829563).
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 agm072829563
data_agm072829563
_cell_length_a 8.06886
_cell_length_b 8.06886
_cell_length_c 8.06886
_cell_angle_alpha 72.45784
_cell_angle_beta 72.45784
_cell_angle_gamma 72.45784
_cell_volume 464.62423
_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 0.25012 0.25012 0.25012 1.00000
Tb2 Tb 0.74988 0.74988 0.74988 1.00000
Tb3 Tb 0.88759 0.03769 0.33347 1.00000
Tb4 Tb 0.33347 0.88759 0.03769 1.00000
Tb5 Tb 0.03769 0.33347 0.88759 1.00000
Tb6 Tb 0.11241 0.96231 0.66653 1.00000
Tb7 Tb 0.66653 0.11241 0.96231 1.00000
Tb8 Tb 0.96231 0.66653 0.11241 1.00000
Y1 Y 0.17839 0.60705 0.45697 1.00000
Y2 Y 0.45697 0.17839 0.60705 1.00000
Y3 Y 0.60705 0.45697 0.17839 1.00000
Y4 Y 0.82161 0.39295 0.54303 1.00000
Y5 Y 0.54303 0.82161 0.39295 1.00000
Y6 Y 0.39295 0.54303 0.82161 1.00000
Mn1 Mn 0.00000 0.00000 0.00000 1.00000
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