Sm2Sc2Cr5
Alexandria ALEXAlex-ID: agm009576809 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_304_spg12
Sm Sc Cr
2024-07-13 09:31:39.456416
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009576809).
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
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# CIF generated by HEAS from Alexandria entry agm009576809
data_agm009576809
_cell_length_a 5.70299
_cell_length_b 5.58842
_cell_length_c 6.56527
_cell_angle_alpha 80.05434
_cell_angle_beta 74.89327
_cell_angle_gamma 60.12190
_cell_volume 174.92948
_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
Sm1 Sm 0.32701 0.32247 0.07165 1.00000
Sm2 Sm 0.67299 0.67753 0.92835 1.00000
Sc1 Sc 0.24005 0.24591 0.58294 1.00000
Sc2 Sc 0.75995 0.75409 0.41706 1.00000
Cr1 Cr 0.79952 0.26039 0.31187 1.00000
Cr2 Cr 0.74434 0.19612 0.64581 1.00000
Cr3 Cr 0.25566 0.80388 0.35419 1.00000
Cr4 Cr 0.20048 0.73961 0.68813 1.00000
Cr5 Cr 0.00000 0.00000 0.00000 1.00000
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