Pr4ErTl3
Alexandria ALEXAlex-ID: agm005964586 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4_88_spg166
PrEr8 Pr2Er3Tl4 Pr5Tl3
2023-10-03 16:35:48.047453
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005964586).
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 agm005964586
data_agm005964586
_cell_length_a 5.55851
_cell_length_b 5.55851
_cell_length_c 9.88473
_cell_angle_alpha 73.67016
_cell_angle_beta 73.67016
_cell_angle_gamma 60.00000
_cell_volume 250.16452
_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 0.86892 0.86892 0.39325 1.00000
Pr2 Pr 0.38387 0.38387 0.84839 1.00000
Pr3 Pr 0.13108 0.13108 0.60675 1.00000
Pr4 Pr 0.61613 0.61613 0.15161 1.00000
Tl1 Tl 0.26185 0.26185 0.21444 1.00000
Tl2 Tl 0.73815 0.73815 0.78556 1.00000
Tl3 Tl 0.50000 0.50000 0.50000 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
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