ErTm2ThSc4
Alexandria ALEXAlex-ID: agm004863383 · 空间群: P4/mmm (#123)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_443_spg123
Er2Tm ErTm2 Tm(ThSc3)2 Sc
2022-07-19 21:03:21.104457
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004863383).
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 agm004863383
data_agm004863383
_cell_length_a 4.89909
_cell_length_b 4.90184
_cell_length_c 10.39507
_cell_angle_alpha 61.88901
_cell_angle_beta 89.99962
_cell_angle_gamma 89.99964
_cell_volume 220.18546
_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 0.50000 0.50000 1.00000 1.00000
Tm1 Tm 0.00000 0.00000 1.00000 1.00000
Tm2 Tm 0.50000 0.00000 0.50000 1.00000
Th1 Th 0.00000 0.49999 0.50000 1.00000
Sc1 Sc 0.00000 0.75189 0.74824 1.00000
Sc2 Sc 1.00000 0.24812 0.25175 1.00000
Sc3 Sc 0.50000 0.74812 0.25171 1.00000
Sc4 Sc 0.50000 0.25188 0.74828 1.00000
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