DyEr(PuTe2)2
Alexandria ALEXAlex-ID: agm034004053 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_74_spg74
ErPuTe2 DyPuTe2
2024-11-01 10:29:51.688597
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034004053).
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 agm034004053
data_agm034004053
_cell_length_a 8.76973
_cell_length_b 8.76973
_cell_length_c 8.76973
_cell_angle_alpha 120.05629
_cell_angle_beta 120.00986
_cell_angle_gamma 89.94273
_cell_volume 476.67996
_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
Dy1 Dy 0.50000 0.00000 0.50000 1.00000
Dy2 Dy 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.00000 0.00000 0.50000 1.00000
Er2 Er 0.00000 0.50000 0.00000 1.00000
Pu1 Pu 0.50000 0.50000 0.50000 1.00000
Pu2 Pu 0.50000 0.00000 0.00000 1.00000
Pu3 Pu 0.00000 0.50000 0.50000 1.00000
Pu4 Pu 0.50000 0.50000 0.00000 1.00000
Te1 Te 0.24254 0.24790 0.99464 1.00000
Te2 Te 0.75326 0.24790 0.50536 1.00000
Te3 Te 0.24674 0.75210 0.49464 1.00000
Te4 Te 0.75746 0.75210 0.00536 1.00000
Te5 Te 0.75307 0.75638 0.50331 1.00000
Te6 Te 0.75307 0.24975 0.99669 1.00000
Te7 Te 0.24693 0.75025 0.00331 1.00000
Te8 Te 0.24693 0.24362 0.49669 1.00000
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