Er6Tm2In3
Alexandria ALEXAlex-ID: agm003348822 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C6_174_spg139
ErTmIn ErTm5 Er2In
2022-02-02 17:36:35.845434
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003348822).
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}
}
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# CIF generated by HEAS from Alexandria entry agm003348822
data_agm003348822
_cell_length_a 4.49478
_cell_length_b 4.49478
_cell_length_c 16.83240
_cell_angle_alpha 97.67280
_cell_angle_beta 97.67280
_cell_angle_gamma 90.00000
_cell_volume 333.94890
_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 0.12705 0.62705 0.25411 1.00000
Er2 Er 0.62705 0.12705 0.25411 1.00000
Er3 Er 0.87295 0.37295 0.74589 1.00000
Er4 Er 0.37295 0.87295 0.74589 1.00000
Er5 Er 0.71259 0.71259 0.42518 1.00000
Er6 Er 0.28741 0.28741 0.57482 1.00000
Tm1 Tm 0.45450 0.45450 0.90900 1.00000
Tm2 Tm 0.54550 0.54550 0.09100 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
In2 In 0.80624 0.80624 0.61248 1.00000
In3 In 0.19376 0.19376 0.38752 1.00000
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