Ho3Er5Sn
Alexandria ALEXAlex-ID: agm003563739 · 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
AB3C5_240_spg12
Ho7Er2 Ho5Sn3 HoEr5
2022-03-25 08:15:32.833237
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003563739).
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 agm003563739
data_agm003563739
_cell_length_a 7.95169
_cell_length_b 7.95169
_cell_length_c 10.90581
_cell_angle_alpha 84.73580
_cell_angle_beta 84.73580
_cell_angle_gamma 60.26446
_cell_volume 595.39020
_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 0.66600 0.66600 0.78630 1.00000
Ho2 Ho 0.73365 0.73365 0.46633 1.00000
Ho3 Ho 0.00000 0.00000 0.00000 1.00000
Ho4 Ho 0.00000 0.00000 0.50000 1.00000
Ho5 Ho 0.33400 0.33400 0.21370 1.00000
Ho6 Ho 0.26635 0.26635 0.53367 1.00000
Er1 Er 0.92713 0.32395 0.23257 1.00000
Er2 Er 0.33396 0.66604 0.00000 1.00000
Er3 Er 0.76078 0.76078 0.04536 1.00000
Er4 Er 0.50451 0.50451 0.35624 1.00000
Er5 Er 0.49549 0.49549 0.64376 1.00000
Er6 Er 0.23922 0.23922 0.95464 1.00000
Er7 Er 0.32395 0.92713 0.23257 1.00000
Er8 Er 0.66604 0.33396 0.00000 1.00000
Er9 Er 0.07287 0.67605 0.76743 1.00000
Er10 Er 0.67605 0.07287 0.76743 1.00000
Sn1 Sn 0.09427 0.09427 0.73907 1.00000
Sn2 Sn 0.90573 0.90573 0.26093 1.00000
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