Pr(YTm)4
Alexandria ALEXAlex-ID: agm034218920 · 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
AB4C4_435_spg12
PrY2 YTm2
2025-04-01 23:10:42
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034218920).
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 agm034218920
data_agm034218920
_cell_length_a 9.47780
_cell_length_b 9.47780
_cell_length_c 9.50896
_cell_angle_alpha 64.72649
_cell_angle_beta 115.27351
_cell_angle_gamma 158.22984
_cell_volume 285.29379
_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 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.81370 0.18630 0.66587 1.00000
Y2 Y 0.18630 0.81370 0.33413 1.00000
Y3 Y 0.51890 0.48110 0.33727 1.00000
Y4 Y 0.48110 0.51890 0.66273 1.00000
Tm1 Tm 0.33150 0.66850 0.00128 1.00000
Tm2 Tm 0.66850 0.33150 0.99872 1.00000
Tm3 Tm 0.85124 0.14876 0.33197 1.00000
Tm4 Tm 0.14876 0.85124 0.66803 1.00000
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