Y2Ho5Tm2
Alexandria ALEXAlex-ID: agm009374643 · 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
A2B2C5_222_spg12
HoTm2 Ho7Tm2 Y5Ho
2024-05-15 22:17:16.692153
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009374643).
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 agm009374643
data_agm009374643
_cell_length_a 7.88469
_cell_length_b 7.88469
_cell_length_c 7.89442
_cell_angle_alpha 72.54956
_cell_angle_beta 72.54956
_cell_angle_gamma 36.84386
_cell_volume 279.20431
_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
Y1 Y 0.22180 0.22180 0.66730 1.00000
Y2 Y 0.77820 0.77820 0.33270 1.00000
Ho1 Ho 0.89001 0.89001 0.66763 1.00000
Ho2 Ho 0.10999 0.10999 0.33237 1.00000
Ho3 Ho 0.66632 0.66632 0.99964 1.00000
Ho4 Ho 0.33368 0.33368 0.00036 1.00000
Ho5 Ho 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.55462 0.55462 0.66656 1.00000
Tm2 Tm 0.44538 0.44538 0.33344 1.00000
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