Sc4Mn5
Alexandria ALEXAlex-ID: agm005503536 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5_52_spg139
ScMn2 Sc
2023-03-19 15:04:29.089351
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005503536).
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}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005503536
data_agm005503536
_cell_length_a 6.52515
_cell_length_b 6.52515
_cell_length_c 6.52515
_cell_angle_alpha 95.48591
_cell_angle_beta 95.48591
_cell_angle_gamma 143.97866
_cell_volume 155.37881
_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 0.69962 0.00000 0.69962 1.00000
Sc2 Sc 0.30038 0.00000 0.30038 1.00000
Sc3 Sc 0.00000 0.30038 0.30038 1.00000
Sc4 Sc 0.00000 0.69962 0.69962 1.00000
Mn1 Mn 0.00000 0.00000 0.00000 1.00000
Mn2 Mn 0.65377 0.34623 0.00000 1.00000
Mn3 Mn 0.34623 0.65377 0.00000 1.00000
Mn4 Mn 0.34623 0.34623 0.69245 1.00000
Mn5 Mn 0.65377 0.65377 0.30755 1.00000
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