Ho4Tm3In2
Alexandria ALEXAlex-ID: agm003333285 · 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
A2B3C4_293_spg12
HoTm3In2 HoTm5 Ho2In
2022-01-29 15:22:22.667599
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003333285).
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 agm003333285
data_agm003333285
_cell_length_a 5.22772
_cell_length_b 6.73405
_cell_length_c 9.35668
_cell_angle_alpha 59.48105
_cell_angle_beta 73.81034
_cell_angle_gamma 67.17285
_cell_volume 260.14099
_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 0.33179 0.36908 0.96705 1.00000
Ho2 Ho 0.87947 0.58285 0.65787 1.00000
Ho3 Ho 0.12053 0.41715 0.34213 1.00000
Ho4 Ho 0.66821 0.63092 0.03295 1.00000
Tm1 Tm 0.57553 0.19541 0.65353 1.00000
Tm2 Tm 0.00000 0.00000 0.00000 1.00000
Tm3 Tm 0.42447 0.80459 0.34647 1.00000
In1 In 0.78829 0.10666 0.31663 1.00000
In2 In 0.21171 0.89334 0.68337 1.00000
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