Ho5(ErTm)3
Alexandria ALEXAlex-ID: agm008396147 · 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
A3B3C5_96_spg1
Er2Tm ErTm2 Ho7Er2
2024-05-09 22:33:44.092364
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008396147).
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 agm008396147
data_agm008396147
_cell_length_a 6.06206
_cell_length_b 7.82714
_cell_length_c 7.83128
_cell_angle_alpha 107.42503
_cell_angle_beta 104.96898
_cell_angle_gamma 97.39008
_cell_volume 333.83959
_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
Ho1 Ho 0.54538 0.36380 0.63619 1.00000
Ho2 Ho 0.45420 0.54575 0.27291 1.00000
Ho3 Ho 0.36374 0.72682 0.90877 1.00000
Ho4 Ho 0.18185 0.09058 0.18223 1.00000
Ho5 Ho 0.63628 0.18223 0.00009 1.00000
Er1 Er 0.09096 0.27256 0.81787 1.00000
Er2 Er 0.81836 0.81830 0.72711 1.00000
Er3 Er 0.72746 0.99987 0.36386 1.00000
Tm1 Tm 0.90902 0.63654 0.09112 1.00000
Tm2 Tm 0.27294 0.90861 0.54534 1.00000
Tm3 Tm 0.99980 0.45495 0.45451 1.00000
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