Er2Zr3Sc8
Alexandria ALEXAlex-ID: agm005605934 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_397_spg10
ZrSc2 Er Sc
2023-06-16 10:05:01.982104
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005605934).
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 agm005605934
data_agm005605934
_cell_length_a 4.46934
_cell_length_b 7.15951
_cell_length_c 10.69369
_cell_angle_alpha 85.56279
_cell_angle_beta 90.00016
_cell_angle_gamma 90.00024
_cell_volume 341.15424
_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
Er1 Er 0.50001 0.73202 0.43490 1.00000
Er2 Er 0.49999 0.26798 0.56510 1.00000
Zr1 Zr 0.50000 0.00000 0.00000 1.00000
Zr2 Zr 0.99999 0.71424 0.93492 1.00000
Zr3 Zr 0.00001 0.28576 0.06508 1.00000
Sc1 Sc 0.00001 0.43459 0.34316 1.00000
Sc2 Sc 0.99999 0.56541 0.65684 1.00000
Sc3 Sc 0.00001 0.87586 0.20334 1.00000
Sc4 Sc 0.99999 0.12414 0.79666 1.00000
Sc5 Sc 0.49999 0.41773 0.86103 1.00000
Sc6 Sc 0.49999 0.83325 0.74389 1.00000
Sc7 Sc 0.50001 0.16675 0.25611 1.00000
Sc8 Sc 0.50001 0.58227 0.13897 1.00000
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