RbZrSc
Alexandria ALEXAlex-ID: agm003142255 · Space group: P4/nmm (#129)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_1472_spg129
ZrSc2 Zr3Sc Rb
2023-03-26 18:27:26.517687
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003142255).
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 agm003142255
data_agm003142255
_cell_length_a 16.35821
_cell_length_b 3.82694
_cell_length_c 3.82694
_cell_angle_alpha 90.00000
_cell_angle_beta 103.36288
_cell_angle_gamma 76.63712
_cell_volume 226.41541
_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 0.15128 0.60069 0.39931 1.00000
Sc2 Sc 0.84872 0.39931 0.60069 1.00000
Rb1 Rb 0.35973 0.89488 0.10512 1.00000
Rb2 Rb 0.64027 0.10512 0.89488 1.00000
Zr1 Zr 0.95640 0.79303 0.20697 1.00000
Zr2 Zr 0.04360 0.20697 0.79303 1.00000
