Tm2Fe2C3
Alexandria ALEXAlex-ID: agm003308024 · 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
A2B2C3_28_spg12
Tm7Fe4C9 Tm(FeC)2
2022-01-23 05:57:20.337883
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003308024).
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 agm003308024
data_agm003308024
_cell_length_a 3.31244
_cell_length_b 5.47064
_cell_length_c 5.64440
_cell_angle_alpha 115.19743
_cell_angle_beta 107.06325
_cell_angle_gamma 90.00000
_cell_volume 87.54917
_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 0.39622 0.17414 0.79244 1.00000
Tm2 Tm 0.60378 0.82586 0.20756 1.00000
Fe1 Fe 0.16663 0.32349 0.33327 1.00000
Fe2 Fe 0.83337 0.67651 0.66673 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
C2 C 0.24229 0.71099 0.48457 1.00000
C3 C 0.75771 0.28901 0.51543 1.00000
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