ZrScZn3Cr8
Alexandria ALEXAlex-ID: agm010509211 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3D8_52_spg44
ZrScZn4 ZrZn ScZn Cr
2024-06-01 15:31:10.887410
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010509211).
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 agm010509211
data_agm010509211
_cell_length_a 6.55362
_cell_length_b 6.55362
_cell_length_c 6.55362
_cell_angle_alpha 135.79678
_cell_angle_beta 97.74154
_cell_angle_gamma 98.53560
_cell_volume 181.82118
_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
Zr1 Zr 0.91714 0.50000 0.41714 1.00000
Sc1 Sc 0.53607 0.50000 0.03607 1.00000
Zn1 Zn 0.81269 0.83109 0.98160 1.00000
Zn2 Zn 0.15051 0.16891 0.98160 1.00000
Zn3 Zn 0.22690 0.50000 0.72690 1.00000
Cr1 Cr 0.31615 0.83674 0.47940 1.00000
Cr2 Cr 0.64266 0.16326 0.47940 1.00000
Cr3 Cr 0.72718 0.00000 0.72718 1.00000
Cr4 Cr 0.25607 0.00000 0.25607 1.00000
Cr5 Cr 0.97269 0.99125 0.47584 1.00000
Cr6 Cr 0.97269 0.49685 0.98144 1.00000
Cr7 Cr 0.48459 0.00875 0.98144 1.00000
Cr8 Cr 0.48459 0.50315 0.47584 1.00000
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