Pr5(MnTl)2
Alexandria ALEXAlex-ID: agm009299283 · 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
A2B2C5_268_spg12
Pr5Tl3 Pr Mn
2024-07-10 14:45:23.511392
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009299283).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm009299283
data_agm009299283
_cell_length_a 4.65695
_cell_length_b 6.31678
_cell_length_c 9.49624
_cell_angle_alpha 101.66699
_cell_angle_beta 104.20479
_cell_angle_gamma 89.98838
_cell_volume 264.85491
_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 0.10264 0.55876 0.20501 1.00000
Pr2 Pr 0.89736 0.44124 0.79499 1.00000
Pr3 Pr 0.34808 0.91937 0.69567 1.00000
Pr4 Pr 0.65192 0.08063 0.30433 1.00000
Pr5 Pr 0.00000 0.00000 0.00000 1.00000
Mn1 Mn 0.49980 0.69439 0.99979 1.00000
Mn2 Mn 0.50020 0.30561 0.00021 1.00000
Tl1 Tl 0.73897 0.66508 0.47764 1.00000
Tl2 Tl 0.26103 0.33492 0.52236 1.00000
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