TbNdY5Er2
Alexandria ALEXAlex-ID: agm005146459 · 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
TbNdY4 Y5Er YEr5
2023-01-19 17:58:59.918690
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005146459).
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 agm005146459
data_agm005146459
_cell_length_a 5.62856
_cell_length_b 10.39114
_cell_length_c 10.52883
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.71395
_cell_volume 592.78685
_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 0.80288 0.60576 0.51388 1.00000
Tb2 Tb 0.19712 0.39424 0.01388 1.00000
Nd1 Nd 0.58470 0.16940 0.94792 1.00000
Nd2 Nd 0.41530 0.83060 0.44792 1.00000
Y1 Y 0.38493 0.76985 0.02359 1.00000
Y2 Y 0.72113 0.44226 0.81833 1.00000
Y3 Y 0.47819 0.95637 0.73615 1.00000
Y4 Y 0.29855 0.59711 0.70766 1.00000
Y5 Y 0.98301 0.96603 0.52271 1.00000
Y6 Y 0.61507 0.23015 0.52359 1.00000
Y7 Y 0.27887 0.55774 0.31833 1.00000
Y8 Y 0.52181 0.04363 0.23615 1.00000
Y9 Y 0.70145 0.40289 0.20766 1.00000
Y10 Y 0.01699 0.03397 0.02271 1.00000
Er1 Er 0.88726 0.77452 0.81854 1.00000
Er2 Er 0.11152 0.22305 0.73520 1.00000
Er3 Er 0.11274 0.22548 0.31854 1.00000
Er4 Er 0.88848 0.77695 0.23520 1.00000
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