Tb3Dy2ErP6
Alexandria ALEXAlex-ID: agm043733210 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D6_1_spg12
TbDy3P4 DyEr3P4 Tb3DyP4
2024-11-13 10:57:10.950394
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm043733210).
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 agm043733210
data_agm043733210
_cell_length_a 6.94583
_cell_length_b 6.94583
_cell_length_c 6.94818
_cell_angle_alpha 80.42405
_cell_angle_beta 80.42405
_cell_angle_gamma 119.99156
_cell_volume 273.79092
_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 0.83304 0.16696 0.50000 1.00000
Tb2 Tb 0.16696 0.83304 0.50000 1.00000
Tb3 Tb 0.50000 0.50000 0.50000 1.00000
Dy1 Dy 0.66652 0.33348 0.00000 1.00000
Dy2 Dy 0.33348 0.66652 0.00000 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
P1 P 0.58535 0.91744 0.24779 1.00000
P2 P 0.75068 0.75068 0.75192 1.00000
P3 P 0.41465 0.08256 0.75221 1.00000
P4 P 0.91744 0.58535 0.24779 1.00000
P5 P 0.24932 0.24932 0.24808 1.00000
P6 P 0.08256 0.41465 0.75221 1.00000
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