Er(PaFe)2
Alexandria ALEXAlex-ID: agm005951998 · 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
AB2C2_2612_spg12
Er2PaFe PaFe
2023-08-05 18:28:07.865850
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005951998).
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 agm005951998
data_agm005951998
_cell_length_a 3.50039
_cell_length_b 6.36192
_cell_length_c 9.74882
_cell_angle_alpha 77.83272
_cell_angle_beta 79.66555
_cell_angle_gamma 74.11350
_cell_volume 202.39837
_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
Er1 Er 0.68486 0.98456 0.64584 1.00000
Er2 Er 0.31514 0.01544 0.35416 1.00000
Pa1 Pa 0.07285 0.56587 0.29388 1.00000
Pa2 Pa 0.16278 0.73638 0.93662 1.00000
Pa3 Pa 0.92715 0.43413 0.70612 1.00000
Pa4 Pa 0.83722 0.26362 0.06338 1.00000
Fe1 Fe 0.38524 0.64659 0.58318 1.00000
Fe2 Fe 0.45713 0.17333 0.89730 1.00000
Fe3 Fe 0.61476 0.35341 0.41682 1.00000
Fe4 Fe 0.54287 0.82667 0.10270 1.00000
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