TbPrY5Ho2
Alexandria ALEXAlex-ID: agm005146599 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_204_spg36
TbPrY4 Tb5YHo12 Y5Ho PrY2
2023-01-19 17:59:17.348823
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005146599).
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 agm005146599
data_agm005146599
_cell_length_a 5.64448
_cell_length_b 10.44471
_cell_length_c 10.57076
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.67663
_cell_volume 600.01715
_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
Tb1 Tb 0.58581 0.17162 0.94994 1.00000
Tb2 Tb 0.41419 0.82838 0.44994 1.00000
Pr1 Pr 0.80189 0.60379 0.51387 1.00000
Pr2 Pr 0.19811 0.39621 0.01387 1.00000
Y1 Y 0.39041 0.78082 0.02479 1.00000
Y2 Y 0.72082 0.44164 0.81341 1.00000
Y3 Y 0.47810 0.95619 0.73682 1.00000
Y4 Y 0.30064 0.60129 0.70556 1.00000
Y5 Y 0.98356 0.96713 0.52401 1.00000
Y6 Y 0.60959 0.21918 0.52479 1.00000
Y7 Y 0.27918 0.55836 0.31341 1.00000
Y8 Y 0.52190 0.04381 0.23682 1.00000
Y9 Y 0.69936 0.39871 0.20556 1.00000
Y10 Y 0.01644 0.03287 0.02401 1.00000
Ho1 Ho 0.88731 0.77462 0.81980 1.00000
Ho2 Ho 0.11010 0.22020 0.73578 1.00000
Ho3 Ho 0.11269 0.22538 0.31980 1.00000
Ho4 Ho 0.88990 0.77980 0.23578 1.00000
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