Pr3(DyTl2)2
Alexandria ALEXAlex-ID: agm003336085 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_368_spg15
Pr2Dy3Tl4 Pr5Tl3 PrTl
2022-01-30 02:05:48.492313
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003336085).
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 agm003336085
data_agm003336085
_cell_length_a 6.31936
_cell_length_b 9.60238
_cell_length_c 9.60238
_cell_angle_alpha 70.50493
_cell_angle_beta 86.17959
_cell_angle_gamma 86.17959
_cell_volume 547.44454
_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
Pr1 Pr 0.08608 0.01207 0.21128 1.00000
Pr2 Pr 0.41392 0.78872 0.98793 1.00000
Pr3 Pr 0.91392 0.98793 0.78872 1.00000
Pr4 Pr 0.58608 0.21128 0.01207 1.00000
Pr5 Pr 0.25000 0.53994 0.46006 1.00000
Pr6 Pr 0.75000 0.46006 0.53994 1.00000
Dy1 Dy 0.63515 0.15299 0.40301 1.00000
Dy2 Dy 0.86485 0.59698 0.84702 1.00000
Dy3 Dy 0.36485 0.84701 0.59699 1.00000
Dy4 Dy 0.13515 0.40302 0.15298 1.00000
Tl1 Tl 0.56212 0.86110 0.28083 1.00000
Tl2 Tl 0.93788 0.71917 0.13890 1.00000
Tl3 Tl 0.43788 0.13890 0.71917 1.00000
Tl4 Tl 0.06212 0.28083 0.86110 1.00000
Tl5 Tl 0.12002 0.19422 0.46988 1.00000
Tl6 Tl 0.37998 0.53012 0.80578 1.00000
Tl7 Tl 0.87998 0.80578 0.53012 1.00000
Tl8 Tl 0.62002 0.46988 0.19422 1.00000
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