Sc2CrCo2B2Ru3
Alexandria ALEXAlex-ID: agm010782201 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2E3_4_spg10
Sc2Co3Ru Sc2CrCo(BRu2)2 ScCo3B2 Cr2B Co
2024-04-06 15:35:21
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010782201).
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 agm010782201
data_agm010782201
_cell_length_a 2.98484
_cell_length_b 9.02279
_cell_length_c 9.14223
_cell_angle_alpha 89.66152
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 246.21079
_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 0.00000 0.82351 0.67328 1.00000
Sc2 Sc 0.00000 0.17649 0.32672 1.00000
Sc3 Sc 0.00000 0.67654 0.17831 1.00000
Sc4 Sc 0.00000 0.32346 0.82169 1.00000
Cr1 Cr 0.00000 0.50000 0.50000 1.00000
Cr2 Cr 0.00000 0.00000 0.00000 1.00000
Co1 Co 0.50000 0.00000 0.50000 1.00000
Co2 Co 0.50000 0.50000 0.00000 1.00000
Co3 Co 0.50000 0.27782 0.56369 1.00000
Co4 Co 0.50000 0.72218 0.43631 1.00000
B1 B 0.00000 0.38567 0.11561 1.00000
B2 B 0.00000 0.61433 0.88439 1.00000
B3 B 0.00000 0.12373 0.61075 1.00000
B4 B 0.00000 0.87627 0.38925 1.00000
Ru1 Ru 0.50000 0.21602 0.06598 1.00000
Ru2 Ru 0.50000 0.78398 0.93402 1.00000
Ru3 Ru 0.50000 0.43690 0.28578 1.00000
Ru4 Ru 0.50000 0.56310 0.71422 1.00000
Ru5 Ru 0.50000 0.93253 0.22233 1.00000
Ru6 Ru 0.50000 0.06747 0.77767 1.00000
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