Tm3(PaFe2)2
Alexandria ALEXAlex-ID: agm005648469 · 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
A2B3C4_373_spg12
Tm2PaFe2 PaFe TmFe2
2023-06-27 00:53:03.929612
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005648469).
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 agm005648469
data_agm005648469
_cell_length_a 3.63609
_cell_length_b 6.45359
_cell_length_c 8.24075
_cell_angle_alpha 107.24644
_cell_angle_beta 90.00000
_cell_angle_gamma 106.36232
_cell_volume 176.46432
_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
Tm1 Tm 0.59815 0.19630 0.70830 1.00000
Tm2 Tm 0.00000 0.00000 0.00000 1.00000
Tm3 Tm 0.40185 0.80370 0.29170 1.00000
Pa1 Pa 0.68242 0.36485 0.31520 1.00000
Pa2 Pa 0.31758 0.63515 0.68480 1.00000
Fe1 Fe 0.71295 0.42590 0.06903 1.00000
Fe2 Fe 0.28705 0.57410 0.93097 1.00000
Fe3 Fe 0.90846 0.81692 0.57784 1.00000
Fe4 Fe 0.09154 0.18308 0.42216 1.00000
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