Pr3CuTe2
Alexandria ALEXAlex-ID: agm005757258 · 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
AB2C3_5_spg15
PrCu PrTe
2023-08-17 16:45:57.462310
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005757258).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm005757258
data_agm005757258
_cell_length_a 7.61135
_cell_length_b 7.61135
_cell_length_c 7.83399
_cell_angle_alpha 99.43819
_cell_angle_beta 99.43819
_cell_angle_gamma 119.99476
_cell_volume 371.32399
_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
Pr1 Pr 0.60522 0.93855 0.77066 1.00000
Pr2 Pr 0.06145 0.39478 0.22934 1.00000
Pr3 Pr 0.90686 0.58753 0.76484 1.00000
Pr4 Pr 0.25420 0.24018 0.76484 1.00000
Pr5 Pr 0.41247 0.09315 0.23516 1.00000
Pr6 Pr 0.75982 0.74580 0.23516 1.00000
Cu1 Cu 0.00210 0.99790 1.00000 1.00000
Cu2 Cu 0.66457 0.33543 1.00000 1.00000
Te1 Te 0.83334 0.16666 0.50000 1.00000
Te2 Te 0.33333 0.66666 0.00000 1.00000
Te3 Te 0.17531 0.82469 0.50000 1.00000
Te4 Te 0.49136 0.50864 0.50000 1.00000
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