Pr4YTm3
Alexandria ALEXAlex-ID: agm005907902 · 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
AB3C4_345_spg12
YTm7 YTm2 Pr
2023-10-08 19:53:43.491426
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005907902).
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 agm005907902
data_agm005907902
_cell_length_a 3.62222
_cell_length_b 6.22580
_cell_length_c 13.05919
_cell_angle_alpha 113.60246
_cell_angle_beta 97.97175
_cell_angle_gamma 90.00001
_cell_volume 266.75631
_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 0.37805 0.13067 0.75610 1.00000
Pr2 Pr 0.62195 0.86933 0.24390 1.00000
Pr3 Pr 0.74885 0.74731 0.49769 1.00000
Pr4 Pr 0.25115 0.25269 0.50231 1.00000
Y1 Y 0.50000 0.00000 0.00000 1.00000
Tm1 Tm 0.00000 0.50000 0.00000 1.00000
Tm2 Tm 0.12237 0.37040 0.24474 1.00000
Tm3 Tm 0.87763 0.62960 0.75526 1.00000
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