Er2Th3Sc
Alexandria ALEXAlex-ID: agm005678613 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2493_spg11
Er2Th Th Sc
2023-08-29 22:55:02.615890
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005678613).
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 agm005678613
data_agm005678613
_cell_length_a 7.03111
_cell_length_b 10.48077
_cell_length_c 6.04428
_cell_angle_alpha 124.92558
_cell_angle_beta 89.99996
_cell_angle_gamma 89.99998
_cell_volume 365.19173
_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 0.74999 0.50344 0.50606 1.00000
Er2 Er 0.25001 0.49656 0.49394 1.00000
Er3 Er 0.24997 0.83432 0.17156 1.00000
Er4 Er 0.75003 0.16568 0.82844 1.00000
Th1 Th 0.00151 0.16365 0.32980 1.00000
Th2 Th 0.50142 0.83636 0.67022 1.00000
Th3 Th 0.00000 0.50000 0.00000 1.00000
Th4 Th 0.50000 0.50000 0.00000 1.00000
Th5 Th 0.99849 0.83635 0.67020 1.00000
Th6 Th 0.49858 0.16364 0.32978 1.00000
Sc1 Sc 0.25003 0.16869 0.83363 1.00000
Sc2 Sc 0.74997 0.83131 0.16637 1.00000
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