Pr2Y12Tm
Alexandria ALEXAlex-ID: agm005773902 · 空间群: Pmmm (#47)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C12_76_spg47
Pr2Y7 Y5Tm
2023-07-20 17:41:31.374014
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005773902).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005773902
data_agm005773902
_cell_length_a 6.72657
_cell_length_b 6.72657
_cell_length_c 24.92422
_cell_angle_alpha 89.99992
_cell_angle_beta 90.00008
_cell_angle_gamma 63.71974
_cell_volume 1011.17444
_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 0.50000 0.00000 0.26675 1.00000
Pr2 Pr 1.00000 0.50000 0.26647 1.00000
Pr3 Pr 0.00000 0.50000 0.73325 1.00000
Pr4 Pr 0.50000 1.00000 0.73353 1.00000
Y1 Y 0.50000 0.50000 0.80296 1.00000
Y2 Y 0.00000 1.00000 0.80296 1.00000
Y3 Y 0.75002 0.74998 0.87548 1.00000
Y4 Y 0.24997 0.74997 0.92456 1.00000
Y5 Y 1.00000 0.00000 0.32674 1.00000
Y6 Y 0.25003 0.75003 0.07544 1.00000
Y7 Y 0.75096 0.25096 0.56180 1.00000
Y8 Y 0.50000 0.50000 0.32674 1.00000
Y9 Y 0.24998 0.25002 0.87548 1.00000
Y10 Y 0.74998 0.75002 0.12452 1.00000
Y11 Y 0.25077 0.24923 0.58506 1.00000
Y12 Y 0.74904 0.24904 0.43820 1.00000
Y13 Y 0.00000 1.00000 0.67326 1.00000
Y14 Y 0.24923 0.25077 0.41494 1.00000
Y15 Y 0.25002 0.24998 0.12452 1.00000
Y16 Y 0.75077 0.74923 0.41494 1.00000
Y17 Y 0.74923 0.75077 0.58506 1.00000
Y18 Y 1.00000 0.00000 0.19704 1.00000
Y19 Y 0.24904 0.74904 0.56180 1.00000
Y20 Y 0.50000 0.50000 0.67326 1.00000
Y21 Y 0.75003 0.25003 0.92456 1.00000
Y22 Y 0.50000 0.50000 0.19704 1.00000
Y23 Y 0.25096 0.75096 0.43820 1.00000
Y24 Y 0.74997 0.24997 0.07544 1.00000
Tm1 Tm 0.50000 0.00000 0.99999 1.00000
Tm2 Tm 0.00000 0.50000 0.00001 1.00000
