ErTm2Ni
Alexandria ALEXAlex-ID: agm067967904 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_547_spg62
ErTm2Ni
2025-01-02 20:16:23
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm067967904).
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 agm067967904
data_agm067967904
_cell_length_a 6.20803
_cell_length_b 9.47962
_cell_length_c 13.55064
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 797.45275
_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 0.56472 0.25000 0.85642 1.00000
Er2 Er 0.06472 0.75000 0.64358 1.00000
Er3 Er 0.43528 0.75000 0.14358 1.00000
Er4 Er 0.93528 0.25000 0.35642 1.00000
Er5 Er 0.77532 0.25000 0.60874 1.00000
Er6 Er 0.27532 0.75000 0.89126 1.00000
Er7 Er 0.22468 0.75000 0.39126 1.00000
Er8 Er 0.72468 0.25000 0.10874 1.00000
Tm1 Tm 0.09768 0.06843 0.78535 1.00000
Tm2 Tm 0.59768 0.93157 0.71465 1.00000
Tm3 Tm 0.90232 0.56843 0.21465 1.00000
Tm4 Tm 0.40232 0.43157 0.28535 1.00000
Tm5 Tm 0.90232 0.93157 0.21465 1.00000
Tm6 Tm 0.40232 0.06843 0.28535 1.00000
Tm7 Tm 0.09768 0.43157 0.78535 1.00000
Tm8 Tm 0.59768 0.56843 0.71465 1.00000
Tm9 Tm 0.75266 0.56762 0.96436 1.00000
Tm10 Tm 0.25266 0.43238 0.53564 1.00000
Tm11 Tm 0.24734 0.06762 0.03564 1.00000
Tm12 Tm 0.74734 0.93238 0.46436 1.00000
Tm13 Tm 0.24734 0.43238 0.03564 1.00000
Tm14 Tm 0.74734 0.56762 0.46436 1.00000
Tm15 Tm 0.75266 0.93238 0.96436 1.00000
Tm16 Tm 0.25266 0.06762 0.53564 1.00000
Ni1 Ni 0.36253 0.25000 0.68083 1.00000
Ni2 Ni 0.86253 0.75000 0.81917 1.00000
Ni3 Ni 0.63747 0.75000 0.31917 1.00000
Ni4 Ni 0.13747 0.25000 0.18083 1.00000
Ni5 Ni 0.97694 0.25000 0.93648 1.00000
Ni6 Ni 0.47694 0.75000 0.56352 1.00000
Ni7 Ni 0.02306 0.75000 0.06352 1.00000
Ni8 Ni 0.52306 0.25000 0.43648 1.00000
