Er5Th3Fe
Alexandria ALEXAlex-ID: agm072467201 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_1209_spg1
Er2ThFe Th7Fe3 Er2Th
2024-09-24 09:26:40.035833
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072467201).
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
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# CIF generated by HEAS from Alexandria entry agm072467201
data_agm072467201
_cell_length_a 5.99499
_cell_length_b 7.30805
_cell_length_c 7.07527
_cell_angle_alpha 59.09160
_cell_angle_beta 92.93564
_cell_angle_gamma 91.81137
_cell_volume 265.60505
_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 0.89928 0.92448 0.59943 1.00000
Er2 Er 0.42050 0.73143 0.93480 1.00000
Er3 Er 0.93896 0.89806 0.12425 1.00000
Er4 Er 0.42977 0.22489 0.92093 1.00000
Er5 Er 0.90855 0.40766 0.08878 1.00000
Th1 Th 0.90807 0.38565 0.58829 1.00000
Th2 Th 0.44515 0.71212 0.44318 1.00000
Th3 Th 0.40635 0.20973 0.41837 1.00000
Fe1 Fe 0.15500 0.58807 0.71304 1.00000
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