Sc3Cr4
Alexandria ALEXAlex-ID: agm005486295 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4_122_spg139
Cr Sc
2023-03-18 03:26:05.110634
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005486295).
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 agm005486295
data_agm005486295
_cell_length_a 12.60483
_cell_length_b 12.60483
_cell_length_c 12.60483
_cell_angle_alpha 166.11562
_cell_angle_beta 166.11562
_cell_angle_gamma 19.68413
_cell_volume 115.30642
_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 0.00000 0.00000 1.00000
Sc2 Sc 0.69546 0.69546 0.00000 1.00000
Sc3 Sc 0.30454 0.30454 0.00000 1.00000
Cr1 Cr 0.87760 0.87760 0.00000 1.00000
Cr2 Cr 0.12240 0.12240 0.00000 1.00000
Cr3 Cr 0.57612 0.57612 0.00000 1.00000
Cr4 Cr 0.42388 0.42388 0.00000 1.00000
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