Er15Fe8C25
Alexandria ALEXAlex-ID: agm005253474 · 空间群: P3 (#143)
基础信息
组成
能量与稳定性
电子结构
其他信息
A8B15C25_2_spg143
Er2FeC4 Er12(FeC3)5 Er11(Fe2C3)6
2024-10-04 02:22:44
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005253474).
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 agm005253474
data_agm005253474
_cell_length_a 5.08739
_cell_length_b 11.81852
_cell_length_c 11.81855
_cell_angle_alpha 119.99983
_cell_angle_beta 90.00015
_cell_angle_gamma 89.99989
_cell_volume 615.39412
_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
Er1 Er 0.50384 0.83308 0.83064 1.00000
Er2 Er 0.50384 0.16937 0.00244 1.00000
Er3 Er 0.50384 0.99756 0.16693 1.00000
Er4 Er 0.24567 0.63257 0.48732 1.00000
Er5 Er 0.24567 0.51268 0.14525 1.00000
Er6 Er 0.24567 0.85476 0.36744 1.00000
Er7 Er 0.75451 0.36811 0.85504 1.00000
Er8 Er 0.75451 0.14496 0.51307 1.00000
Er9 Er 0.75451 0.48693 0.63189 1.00000
Er10 Er 0.25083 0.11526 0.71233 1.00000
Er11 Er 0.25083 0.28767 0.40293 1.00000
Er12 Er 0.25083 0.59707 0.88474 1.00000
Er13 Er 0.74625 0.88341 0.59497 1.00000
Er14 Er 0.74625 0.40503 0.28844 1.00000
Er15 Er 0.74625 0.71156 0.11660 1.00000
Fe1 Fe 0.00859 0.13188 0.13158 1.00000
Fe2 Fe 0.00859 0.86843 0.00030 1.00000
Fe3 Fe 0.00859 0.99971 0.86813 1.00000
Fe4 Fe 0.26758 0.33333 0.66667 1.00000
Fe5 Fe 0.73821 0.66668 0.33334 1.00000
Fe6 Fe 0.00704 0.75185 0.74710 1.00000
Fe7 Fe 0.00704 0.25290 0.00475 1.00000
Fe8 Fe 0.00705 0.99525 0.24815 1.00000
C1 C 0.24026 0.87558 0.58224 1.00000
C2 C 0.24025 0.41777 0.29334 1.00000
C3 C 0.24026 0.70666 0.12442 1.00000
C4 C 0.76020 0.12395 0.70673 1.00000
C5 C 0.76020 0.29327 0.41722 1.00000
C6 C 0.76020 0.58278 0.87605 1.00000
C7 C 0.25693 0.35817 0.83268 1.00000
C8 C 0.25693 0.16732 0.52549 1.00000
C9 C 0.25693 0.47450 0.64183 1.00000
C10 C 0.74433 0.64087 0.47395 1.00000
C11 C 0.74434 0.52605 0.16691 1.00000
C12 C 0.74434 0.83309 0.35913 1.00000
C13 C 0.17364 0.88266 0.70004 1.00000
C14 C 0.17364 0.29996 0.18262 1.00000
C15 C 0.17364 0.81738 0.11734 1.00000
C16 C 0.81306 0.10716 0.81307 1.00000
C17 C 0.81306 0.18694 0.29409 1.00000
C18 C 0.81306 0.70591 0.89285 1.00000
C19 C 0.23366 0.31892 0.92245 1.00000
C20 C 0.23366 0.07755 0.39646 1.00000
C21 C 0.23366 0.60354 0.68108 1.00000
C22 C 0.76170 0.68090 0.60356 1.00000
C23 C 0.76170 0.39643 0.07734 1.00000
C24 C 0.76170 0.92266 0.31910 1.00000
C25 C 0.23266 0.00000 0.00000 1.00000
