Pr6Dy5Sc2
Alexandria ALEXAlex-ID: agm005657339 · 空间群: Pbam (#55)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C6_76_spg55
Pr PrDy5 Sc
2023-06-20 19:27:32.271534
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005657339).
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 agm005657339
data_agm005657339
_cell_length_a 3.51281
_cell_length_b 10.87948
_cell_length_c 22.70770
_cell_angle_alpha 90.00001
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 867.83261
_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 0.13962 0.38422 1.00000
Pr2 Pr 0.00000 0.86038 0.61578 1.00000
Pr3 Pr 0.00000 0.63962 0.11578 1.00000
Pr4 Pr 0.00000 0.36038 0.88422 1.00000
Pr5 Pr 0.50000 0.33441 0.13944 1.00000
Pr6 Pr 0.50000 0.66559 0.86056 1.00000
Pr7 Pr 0.50000 0.83441 0.36056 1.00000
Pr8 Pr 0.50000 0.16559 0.63944 1.00000
Pr9 Pr 0.00000 0.53018 0.38702 1.00000
Pr10 Pr 0.00000 0.46982 0.61298 1.00000
Pr11 Pr 0.00000 0.03018 0.11298 1.00000
Pr12 Pr 0.00000 0.96982 0.88702 1.00000
Dy1 Dy 0.50000 0.33471 0.49320 1.00000
Dy2 Dy 0.50000 0.66529 0.50680 1.00000
Dy3 Dy 0.50000 0.83471 0.00680 1.00000
Dy4 Dy 0.50000 0.16529 0.99320 1.00000
Dy5 Dy 0.50000 0.58508 0.25051 1.00000
Dy6 Dy 0.50000 0.41492 0.74949 1.00000
Dy7 Dy 0.50000 0.08508 0.24949 1.00000
Dy8 Dy 0.50000 0.91492 0.75051 1.00000
Dy9 Dy 0.50000 0.50000 0.00000 1.00000
Dy10 Dy 0.50000 0.00000 0.50000 1.00000
Sc1 Sc 0.00000 0.33489 0.27315 1.00000
Sc2 Sc 0.00000 0.66511 0.72685 1.00000
Sc3 Sc 0.00000 0.83489 0.22685 1.00000
Sc4 Sc 0.00000 0.16511 0.77315 1.00000
