Tm6GaFe2
Alexandria ALEXAlex-ID: agm005702610 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_730_spg71
Tm8Ga3Fe Tm TmFe2
2023-07-07 01:01:01.752487
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005702610).
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 agm005702610
data_agm005702610
_cell_length_a 8.18689
_cell_length_b 8.18689
_cell_length_c 8.18689
_cell_angle_alpha 106.83684
_cell_angle_beta 110.50360
_cell_angle_gamma 111.10552
_cell_volume 421.73205
_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 0.52991 0.71588 0.81402 1.00000
Tm2 Tm 0.47009 0.28412 0.18598 1.00000
Tm3 Tm 0.09814 0.28412 0.81402 1.00000
Tm4 Tm 0.90186 0.71588 0.18598 1.00000
Tm5 Tm 0.79385 0.76798 0.56182 1.00000
Tm6 Tm 0.20615 0.23202 0.43818 1.00000
Tm7 Tm 0.20615 0.76798 0.97413 1.00000
Tm8 Tm 0.79385 0.23202 0.02587 1.00000
Tm9 Tm 0.70337 0.38723 0.68386 1.00000
Tm10 Tm 0.29663 0.61277 0.31614 1.00000
Tm11 Tm 0.29663 0.98049 0.68386 1.00000
Tm12 Tm 0.70337 0.01951 0.31614 1.00000
Ga1 Ga 0.00000 0.50000 0.50000 1.00000
Ga2 Ga 0.00000 0.00000 0.00000 1.00000
Fe1 Fe 0.50000 0.38892 0.88892 1.00000
Fe2 Fe 0.50000 0.61108 0.11108 1.00000
Fe3 Fe 0.61929 1.00000 0.61929 1.00000
Fe4 Fe 0.38071 0.00000 0.38071 1.00000
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