FeCo8Ni3Te16
Alexandria ALEXAlex-ID: agm021014529 · 空间群: P-4m2 (#115)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C8D16_3_spg115
Co2NiTe4 Fe2Co CoTe2 FeTe2
2024-09-13 14:21:55.114734
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021014529).
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 agm021014529
data_agm021014529
_cell_length_a 7.51351
_cell_length_b 7.51351
_cell_length_c 10.60234
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 598.53222
_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
Fe1 Fe 0.00000 0.00000 0.50000 1.00000
Co1 Co 0.74906 0.00000 0.12375 1.00000
Co2 Co 0.25140 0.50000 0.62626 1.00000
Co3 Co 0.25094 0.00000 0.12375 1.00000
Co4 Co 0.74860 0.50000 0.62626 1.00000
Co5 Co 0.50000 0.74860 0.37374 1.00000
Co6 Co 0.00000 0.25094 0.87625 1.00000
Co7 Co 0.00000 0.74906 0.87625 1.00000
Co8 Co 0.50000 0.25140 0.37374 1.00000
Ni1 Ni 0.50000 0.50000 0.00000 1.00000
Ni2 Ni 0.00000 0.50000 0.25044 1.00000
Ni3 Ni 0.50000 0.00000 0.74956 1.00000
Te1 Te 0.26938 0.00000 0.36527 1.00000
Te2 Te 0.76827 0.50000 0.86727 1.00000
Te3 Te 0.73062 0.00000 0.36527 1.00000
Te4 Te 0.23173 0.50000 0.86727 1.00000
Te5 Te 0.00000 0.73062 0.63473 1.00000
Te6 Te 0.50000 0.23173 0.13273 1.00000
Te7 Te 0.00000 0.26938 0.63473 1.00000
Te8 Te 0.50000 0.76827 0.13273 1.00000
Te9 Te 0.73080 0.50000 0.38436 1.00000
Te10 Te 0.23125 0.00000 0.88382 1.00000
Te11 Te 0.26920 0.50000 0.38436 1.00000
Te12 Te 0.76875 0.00000 0.88382 1.00000
Te13 Te 0.00000 0.76875 0.11618 1.00000
Te14 Te 0.50000 0.26920 0.61564 1.00000
Te15 Te 0.00000 0.23125 0.11618 1.00000
Te16 Te 0.50000 0.73080 0.61564 1.00000
