Tb5Fe19P12
Alexandria ALEXAlex-ID: agm008609075 · 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
A5B12C19_2_spg12
Tb2Fe12P7 Tb(FeP)2 Fe
2024-09-22 07:28:04.927964
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008609075).
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 agm008609075
data_agm008609075
_cell_length_a 14.30244
_cell_length_b 14.30244
_cell_length_c 9.14919
_cell_angle_alpha 77.24996
_cell_angle_beta 77.24996
_cell_angle_gamma 14.79152
_cell_volume 465.83011
_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
Tb1 Tb 0.00000 0.00000 0.00000 1.00000
Tb2 Tb 0.91868 0.91868 0.68778 1.00000
Tb3 Tb 0.08132 0.08132 0.31222 1.00000
Tb4 Tb 0.67650 0.67650 0.72653 1.00000
Tb5 Tb 0.32350 0.32350 0.27347 1.00000
Fe1 Fe 0.50000 0.50000 0.50000 1.00000
Fe2 Fe 0.28084 0.28084 0.00345 1.00000
Fe3 Fe 0.71916 0.71916 0.99655 1.00000
Fe4 Fe 0.34635 0.34635 0.59136 1.00000
Fe5 Fe 0.65365 0.65365 0.40864 1.00000
Fe6 Fe 0.25803 0.25803 0.59817 1.00000
Fe7 Fe 0.74197 0.74197 0.40183 1.00000
Fe8 Fe 0.15468 0.15468 0.01095 1.00000
Fe9 Fe 0.84532 0.84532 0.98905 1.00000
Fe10 Fe 0.02542 0.02542 0.64423 1.00000
Fe11 Fe 0.97458 0.97458 0.35577 1.00000
Fe12 Fe 0.40988 0.40988 0.95965 1.00000
Fe13 Fe 0.59012 0.59012 0.04035 1.00000
Fe14 Fe 0.56495 0.56495 0.79090 1.00000
Fe15 Fe 0.43505 0.43505 0.20910 1.00000
Fe16 Fe 0.11464 0.11464 0.60922 1.00000
Fe17 Fe 0.88536 0.88536 0.39078 1.00000
Fe18 Fe 0.79460 0.79460 0.77726 1.00000
Fe19 Fe 0.20540 0.20540 0.22274 1.00000
P1 P 0.23272 0.23272 0.84828 1.00000
P2 P 0.76728 0.76728 0.15172 1.00000
P3 P 0.34715 0.34715 0.83174 1.00000
P4 P 0.65285 0.65285 0.16826 1.00000
P5 P 0.10043 0.10043 0.86258 1.00000
P6 P 0.89957 0.89957 0.13742 1.00000
P7 P 0.80586 0.80586 0.52203 1.00000
P8 P 0.19414 0.19414 0.47797 1.00000
P9 P 0.48486 0.48486 0.77536 1.00000
P10 P 0.51514 0.51514 0.22464 1.00000
P11 P 0.57944 0.57944 0.54583 1.00000
P12 P 0.42056 0.42056 0.45417 1.00000
