Er3Sc2Al3
Alexandria ALEXAlex-ID: agm010048827 · 空间群: P-62m (#189)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C3_0_spg189
Sc2Al Er2Al ErAl
2024-06-24 11:54:19.372347
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010048827).
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}
}
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# CIF generated by HEAS from Alexandria entry agm010048827
data_agm010048827
_cell_length_a 8.20171
_cell_length_b 8.20171
_cell_length_c 3.15147
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 183.59157
_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 0.75585 0.75585 0.50000 1.00000
Er2 Er 0.24415 0.00000 0.50000 1.00000
Er3 Er 0.00000 0.24415 0.50000 1.00000
Sc1 Sc 0.33333 0.66667 0.50000 1.00000
Sc2 Sc 0.66667 0.33333 0.50000 1.00000
Al1 Al 0.39294 0.39294 0.00000 1.00000
Al2 Al 0.60706 0.00000 0.00000 1.00000
Al3 Al 0.00000 0.60706 0.00000 1.00000
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