Sc(ZnRe)2
Alexandria ALEXAlex-ID: agm002944293 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_5_spg139
ScZn3 Sc5Re24 ScZn6
2016-12-10 03:52:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002944293).
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
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# CIF generated by HEAS from Alexandria entry agm002944293
data_agm002944293
_cell_length_a 3.70382
_cell_length_b 3.70382
_cell_length_c 6.60539
_cell_angle_alpha 73.71810
_cell_angle_beta 73.71810
_cell_angle_gamma 90.00000
_cell_volume 83.18779
_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
Re1 Re 0.75000 0.25000 0.50000 1.00000
Re2 Re 0.25000 0.75000 0.50000 1.00000
Zn1 Zn 0.40361 0.40361 0.19279 1.00000
Zn2 Zn 0.59639 0.59639 0.80721 1.00000
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