Tm8Fe2Ag
Alexandria ALEXAlex-ID: agm006019236 · 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
AB2C8_17_spg12
Tm6Fe2Ag Tm
2023-10-13 12:04:43.114602
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006019236).
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 agm006019236
data_agm006019236
_cell_length_a 5.40721
_cell_length_b 7.52149
_cell_length_c 7.52149
_cell_angle_alpha 111.67359
_cell_angle_beta 98.22716
_cell_angle_gamma 98.22716
_cell_volume 274.88967
_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 0.58655 0.33543 0.06861 1.00000
Tm2 Tm 0.58655 0.06861 0.33543 1.00000
Tm3 Tm 0.19894 0.38401 0.38401 1.00000
Tm4 Tm 0.99991 0.24502 0.76163 1.00000
Tm5 Tm 0.99991 0.76163 0.24502 1.00000
Tm6 Tm 0.80057 0.62180 0.62180 1.00000
Tm7 Tm 0.41342 0.93773 0.67108 1.00000
Tm8 Tm 0.41342 0.67108 0.93773 1.00000
Fe1 Fe 0.49962 0.69045 0.31550 1.00000
Fe2 Fe 0.49962 0.31550 0.69045 1.00000
Ag1 Ag 0.00117 0.00267 0.00267 1.00000
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