Ho2Er(ScSb2)3
Alexandria ALEXAlex-ID: agm034366419 · 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
AB2C3D6_28_spg12
Ho3ErSb4 HoEr3Sb4 ScSb
2025-01-25 03:04:11
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034366419).
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 agm034366419
data_agm034366419
_cell_length_a 9.52798
_cell_length_b 9.52798
_cell_length_c 8.52886
_cell_angle_alpha 77.13126
_cell_angle_beta 102.86874
_cell_angle_gamma 154.12718
_cell_volume 328.93183
_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 0.83343 0.16657 0.16699 1.00000
Ho2 Ho 0.16657 0.83343 0.83301 1.00000
Er1 Er 0.50000 0.50000 0.50000 1.00000
Sc1 Sc 0.50000 0.50000 0.00000 1.00000
Sc2 Sc 0.83311 0.16689 0.66683 1.00000
Sc3 Sc 0.16689 0.83311 0.33317 1.00000
Sb1 Sb 0.33061 0.66939 0.42470 1.00000
Sb2 Sb 0.66359 0.33641 0.09072 1.00000
Sb3 Sb 0.66939 0.33061 0.57530 1.00000
Sb4 Sb 0.99681 0.00319 0.75677 1.00000
Sb5 Sb 0.00319 0.99681 0.24323 1.00000
Sb6 Sb 0.33641 0.66359 0.90928 1.00000
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