Ho(TeO3)2
Alexandria ALEXAlex-ID: agm005653597 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_3037_spg15
Ho2TeO6 TeO2
2023-07-09 04:53:38.955476
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653597).
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 agm005653597
data_agm005653597
_cell_length_a 7.74192
_cell_length_b 7.00976
_cell_length_c 7.00976
_cell_angle_alpha 71.22127
_cell_angle_beta 67.93615
_cell_angle_gamma 67.93617
_cell_volume 319.41236
_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 0.25000 0.07525 0.92475 1.00000
Ho2 Ho 0.75000 0.92475 0.07525 1.00000
Te1 Te 0.23365 0.66937 0.72166 1.00000
Te2 Te 0.26635 0.27834 0.33063 1.00000
Te3 Te 0.76635 0.33063 0.27834 1.00000
Te4 Te 0.73365 0.72166 0.66937 1.00000
O1 O 0.51040 0.61623 0.72854 1.00000
O2 O 0.98960 0.27146 0.38377 1.00000
O3 O 0.48960 0.38377 0.27146 1.00000
O4 O 0.01040 0.72854 0.61623 1.00000
O5 O 0.72751 0.88460 0.39966 1.00000
O6 O 0.77249 0.60034 0.11540 1.00000
O7 O 0.27249 0.11540 0.60034 1.00000
O8 O 0.22751 0.39966 0.88460 1.00000
O9 O 0.10015 0.82102 0.94307 1.00000
O10 O 0.39985 0.05693 0.17898 1.00000
O11 O 0.89985 0.17898 0.05693 1.00000
O12 O 0.60015 0.94307 0.82102 1.00000
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