Ho2Tm3Sc2
Alexandria ALEXAlex-ID: agm017132805 · 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
A2B2C3_84_spg12
Ho7Tm2 HoTm2 Sc
2025-05-28 01:40:48
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017132805).
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 agm017132805
data_agm017132805
_cell_length_a 8.23362
_cell_length_b 8.23362
_cell_length_c 8.41762
_cell_angle_alpha 61.37291
_cell_angle_beta 118.62709
_cell_angle_gamma 156.05284
_cell_volume 201.94310
_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 0.63741 0.36259 0.32411 1.00000
Ho2 Ho 0.36259 0.63741 0.67589 1.00000
Tm1 Tm 0.70413 0.29587 0.79622 1.00000
Tm2 Tm 0.29587 0.70413 0.20378 1.00000
Tm3 Tm 0.00000 0.00000 0.50000 1.00000
Sc1 Sc 0.06961 0.93039 0.93087 1.00000
Sc2 Sc 0.93039 0.06961 0.06913 1.00000
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