Ho5(Er2Te)2
Alexandria ALEXAlex-ID: agm005683288 · 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
A2B4C5_1114_spg12
Ho7Er2 HoEr5 Ho3Te2
2023-06-22 16:28:04.109964
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005683288).
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 agm005683288
data_agm005683288
_cell_length_a 5.81292
_cell_length_b 5.81292
_cell_length_c 17.97614
_cell_angle_alpha 74.11036
_cell_angle_beta 74.11034
_cell_angle_gamma 36.69095
_cell_volume 347.50305
_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 0.80216 0.80216 0.65081 1.00000
Ho2 Ho 0.61778 0.61778 0.04929 1.00000
Ho3 Ho 0.50000 0.50000 0.50000 1.00000
Ho4 Ho 0.38222 0.38222 0.95071 1.00000
Ho5 Ho 0.19784 0.19784 0.34919 1.00000
Er1 Er 0.70855 0.70856 0.85008 1.00000
Er2 Er 0.52483 0.52483 0.24929 1.00000
Er3 Er 0.47517 0.47517 0.75071 1.00000
Er4 Er 0.29145 0.29144 0.14992 1.00000
Te1 Te 0.10748 0.10748 0.60582 1.00000
Te2 Te 0.89252 0.89252 0.39418 1.00000
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