Sc4In2Co
Alexandria ALEXAlex-ID: agm012132229 · 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
AB2C4_671_spg1
Sc11In9Co4 Sc2In Sc12InCo5
2024-07-13 11:15:21.805820
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012132229).
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 agm012132229
data_agm012132229
_cell_length_a 5.72913
_cell_length_b 5.72913
_cell_length_c 8.09912
_cell_angle_alpha 58.45176
_cell_angle_beta 58.45176
_cell_angle_gamma 45.06325
_cell_volume 155.07976
_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
Sc1 Sc 0.06368 0.06368 0.15721 1.00000
Sc2 Sc 0.93632 0.93632 0.84279 1.00000
Sc3 Sc 0.33553 0.33553 0.55783 1.00000
Sc4 Sc 0.66447 0.66447 0.44217 1.00000
In1 In 0.34109 0.34109 0.17210 1.00000
In2 In 0.65891 0.65891 0.82790 1.00000
Co1 Co 0.00000 0.00000 0.50000 1.00000
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