Pr2Y8Mg
Alexandria ALEXAlex-ID: agm003521998 · 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
AB2C8_336_spg12
Pr2Y7 Y2Mg PrY2
2022-03-15 22:14:32.524474
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003521998).
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 agm003521998
data_agm003521998
_cell_length_a 5.77549
_cell_length_b 9.97449
_cell_length_c 9.97449
_cell_angle_alpha 40.67008
_cell_angle_beta 92.05473
_cell_angle_gamma 92.05473
_cell_volume 374.19837
_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 0.74460 0.28002 0.28002 1.00000
Pr2 Pr 0.25540 0.71998 0.71998 1.00000
Y1 Y 0.25980 0.13859 0.61237 1.00000
Y2 Y 0.25980 0.61237 0.13859 1.00000
Y3 Y 0.74020 0.86141 0.38763 1.00000
Y4 Y 0.23261 0.54981 0.54981 1.00000
Y5 Y 0.74020 0.38763 0.86141 1.00000
Y6 Y 0.23421 0.17463 0.17463 1.00000
Y7 Y 0.76579 0.82537 0.82537 1.00000
Y8 Y 0.76739 0.45019 0.45019 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
获取直接链接