Tb7Dy4Er
Alexandria ALEXAlex-ID: agm006067331 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C7_185_spg2
Tb2DyEr6 TbDy5 Tb5Dy
2023-08-14 19:16:51.172760
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006067331).
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 agm006067331
data_agm006067331
_cell_length_a 6.78191
_cell_length_b 8.72773
_cell_length_c 9.01375
_cell_angle_alpha 83.18805
_cell_angle_beta 93.67672
_cell_angle_gamma 47.25895
_cell_volume 381.34516
_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 0.73632 0.51223 0.94877 1.00000
Tb2 Tb 0.26368 0.48777 0.05123 1.00000
Tb3 Tb 0.98478 0.31259 0.64140 1.00000
Tb4 Tb 0.01522 0.68741 0.35860 1.00000
Tb5 Tb 0.29570 0.80636 0.61478 1.00000
Tb6 Tb 0.50000 0.00000 0.00000 1.00000
Tb7 Tb 0.70430 0.19364 0.38522 1.00000
Dy1 Dy 0.55382 0.64298 0.28410 1.00000
Dy2 Dy 0.44618 0.35702 0.71590 1.00000
Dy3 Dy 0.77091 0.84040 0.68719 1.00000
Dy4 Dy 0.22909 0.15960 0.31281 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
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