TbEr3Tm2
Alexandria ALEXAlex-ID: agm003409279 · 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
AB2C3_878_spg12
Er2Tm ErTm2 Tb3(Er2Tm)2
2022-02-15 01:39:27.071579
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003409279).
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 agm003409279
data_agm003409279
_cell_length_a 3.45503
_cell_length_b 10.04761
_cell_length_c 11.49480
_cell_angle_alpha 108.19868
_cell_angle_beta 98.64355
_cell_angle_gamma 90.00000
_cell_volume 374.30584
_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 0.31315 0.96004 0.62631 1.00000
Tb2 Tb 0.68685 0.03996 0.37369 1.00000
Er1 Er 0.30452 0.28640 0.60905 1.00000
Er2 Er 0.06949 0.76651 0.13899 1.00000
Er3 Er 0.44126 0.56099 0.88252 1.00000
Er4 Er 0.69548 0.71360 0.39095 1.00000
Er5 Er 0.55874 0.43901 0.11748 1.00000
Er6 Er 0.93051 0.23349 0.86101 1.00000
Tm1 Tm 0.30717 0.62675 0.61435 1.00000
Tm2 Tm 0.69283 0.37325 0.38565 1.00000
Tm3 Tm 0.92991 0.86293 0.85981 1.00000
Tm4 Tm 0.07009 0.13707 0.14019 1.00000
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