YEr2Tm5
Alexandria ALEXAlex-ID: agm042019344 · 空间群: Fmm2 (#42)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C5_550_spg107
ErTm2 ErTm5 Y5Er
2025-07-01 13:44:27
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm042019344).
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 agm042019344
data_agm042019344
_cell_length_a 8.31995
_cell_length_b 7.15340
_cell_length_c 6.60480
_cell_angle_alpha 74.29813
_cell_angle_beta 55.86365
_cell_angle_gamma 49.83823
_cell_volume 246.04769
_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
Y1 Y 0.73643 0.73643 0.26357 1.00000
Er1 Er 0.82068 0.31767 0.68233 1.00000
Er2 Er 0.31767 0.82068 0.17932 1.00000
Tm1 Tm 0.32000 0.32000 0.18000 1.00000
Tm2 Tm 0.73560 0.23704 0.26440 1.00000
Tm3 Tm 0.23704 0.73560 0.76296 1.00000
Tm4 Tm 0.82000 0.82000 0.68000 1.00000
Tm5 Tm 0.23693 0.23693 0.76307 1.00000
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