Dy2Ho(PuTe2)3
Alexandria ALEXAlex-ID: agm044985480 · 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
AB2C3D6_570_spg8
DyPuTe2 HoPuTe2
2024-11-26 21:24:13.292309
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044985480).
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 agm044985480
data_agm044985480
_cell_length_a 7.55630
_cell_length_b 7.55630
_cell_length_c 7.67355
_cell_angle_alpha 80.54990
_cell_angle_beta 99.45010
_cell_angle_gamma 60.04986
_cell_volume 358.61337
_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 0.33351 0.33351 0.50000 1.00000
Dy2 Dy 0.66649 0.66649 0.50000 1.00000
Ho1 Ho 0.00000 0.00000 0.50000 1.00000
Pu1 Pu 0.16719 0.16719 0.00000 1.00000
Pu2 Pu 0.83281 0.83281 0.00000 1.00000
Pu3 Pu 0.50000 0.50000 0.00000 1.00000
Te1 Te 0.41366 0.91877 0.74393 1.00000
Te2 Te 0.25088 0.74912 0.25544 1.00000
Te3 Te 0.58634 0.08123 0.25607 1.00000
Te4 Te 0.08123 0.58634 0.74393 1.00000
Te5 Te 0.74912 0.25088 0.74456 1.00000
Te6 Te 0.91877 0.41366 0.25607 1.00000
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