Ho2(ScTe2)5
Alexandria ALEXAlex-ID: agm007909366 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C10_5_spg2
Sc2Te3 Ho2Te3 Sc3Te4
2025-01-21 21:15:00
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007909366).
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 agm007909366
data_agm007909366
_cell_length_a 7.23939
_cell_length_b 8.26219
_cell_length_c 11.05271
_cell_angle_alpha 67.68690
_cell_angle_beta 70.83388
_cell_angle_gamma 63.88041
_cell_volume 538.70382
_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 0.39892 0.50068 0.20534 1.00000
Ho2 Ho 0.60108 0.49932 0.79466 1.00000
Sc1 Sc 0.00000 0.00000 0.50000 1.00000
Sc2 Sc 0.40296 0.00793 0.69447 1.00000
Sc3 Sc 0.78855 0.99166 0.89746 1.00000
Sc4 Sc 0.21145 0.00834 0.10254 1.00000
Sc5 Sc 0.59704 0.99207 0.30553 1.00000
Te1 Te 0.57440 0.24022 0.45226 1.00000
Te2 Te 0.16810 0.24252 0.25563 1.00000
Te3 Te 0.77311 0.23575 0.05139 1.00000
Te4 Te 0.36389 0.24437 0.85107 1.00000
Te5 Te 0.97270 0.23257 0.65440 1.00000
Te6 Te 0.02730 0.76743 0.34560 1.00000
Te7 Te 0.63611 0.75563 0.14893 1.00000
Te8 Te 0.22689 0.76425 0.94861 1.00000
Te9 Te 0.83190 0.75748 0.74437 1.00000
Te10 Te 0.42560 0.75978 0.54774 1.00000
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