Er2TmNi6(B2C)3
Alexandria ALEXAlex-ID: agm010885550 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D6E6_3_spg139
ErNi2B2C TmNi2B2C
2024-05-02 10:04:24.274439
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010885550).
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 agm010885550
data_agm010885550
_cell_length_a 15.88821
_cell_length_b 15.88821
_cell_length_c 15.88821
_cell_angle_alpha 167.33891
_cell_angle_beta 167.33891
_cell_angle_gamma 17.94229
_cell_volume 192.66737
_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 0.83338 0.83338 0.00000 1.00000
Er2 Er 0.16662 0.16662 0.00000 1.00000
Tm1 Tm 0.50000 0.50000 0.00000 1.00000
Ni1 Ni 0.41676 0.91676 0.50000 1.00000
Ni2 Ni 0.75000 0.25000 0.50000 1.00000
Ni3 Ni 0.08324 0.58324 0.50000 1.00000
Ni4 Ni 0.91676 0.41676 0.50000 1.00000
Ni5 Ni 0.25000 0.75000 0.50000 1.00000
Ni6 Ni 0.58324 0.08324 0.50000 1.00000
B1 B 0.38087 0.38087 0.00000 1.00000
B2 B 0.71415 0.71415 0.00000 1.00000
B3 B 0.04749 0.04749 0.00000 1.00000
B4 B 0.95251 0.95251 0.00000 1.00000
B5 B 0.28585 0.28585 0.00000 1.00000
B6 B 0.61913 0.61913 0.00000 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
C2 C 0.33337 0.33337 0.00000 1.00000
C3 C 0.66663 0.66663 0.00000 1.00000
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