DyErP2
Alexandria ALEXAlex-ID: agm005676097 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_9452_spg2
DyErP2
2023-07-13 07:37:54.219468
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005676097).
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 agm005676097
data_agm005676097
_cell_length_a 6.90625
_cell_length_b 6.90650
_cell_length_c 8.91551
_cell_angle_alpha 104.96484
_cell_angle_beta 104.96373
_cell_angle_gamma 109.47106
_cell_volume 358.59828
_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
Dy1 Dy 0.31272 0.06272 0.62544 1.00000
Dy2 Dy 0.56222 0.31222 0.12445 1.00000
Dy3 Dy 0.68728 0.93728 0.37456 1.00000
Dy4 Dy 0.43778 0.68778 0.87555 1.00000
Er1 Er 0.93728 0.18728 0.87456 1.00000
Er2 Er 0.06272 0.81272 0.12544 1.00000
Er3 Er 0.18778 0.43778 0.37556 1.00000
Er4 Er 0.81222 0.56222 0.62444 1.00000
P1 P 0.69034 0.43857 0.87493 1.00000
P2 P 0.18459 0.93636 0.87493 1.00000
P3 P 0.30966 0.56143 0.12507 1.00000
P4 P 0.81541 0.06364 0.12507 1.00000
P5 P 0.93833 0.68657 0.37494 1.00000
P6 P 0.56339 0.81163 0.62506 1.00000
P7 P 0.06167 0.31343 0.62506 1.00000
P8 P 0.43661 0.18837 0.37494 1.00000
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