Y3(ErSc2)2
Alexandria ALEXAlex-ID: agm003336731 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_573_spg15
YEr5 Y5Er Sc
2022-01-30 04:51:02.455658
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003336731).
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 agm003336731
data_agm003336731
_cell_length_a 5.84445
_cell_length_b 10.87664
_cell_length_c 10.87664
_cell_angle_alpha 61.06815
_cell_angle_beta 62.43975
_cell_angle_gamma 62.43975
_cell_volume 510.39871
_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
Y1 Y 0.78992 0.06544 0.25873 1.00000
Y2 Y 0.71008 0.74127 0.93456 1.00000
Y3 Y 0.21008 0.93456 0.74127 1.00000
Y4 Y 0.28992 0.25873 0.06544 1.00000
Y5 Y 0.25000 0.60308 0.39692 1.00000
Y6 Y 0.75000 0.39692 0.60308 1.00000
Er1 Er 0.44200 0.23162 0.51209 1.00000
Er2 Er 0.05800 0.48791 0.76838 1.00000
Er3 Er 0.55800 0.76838 0.48791 1.00000
Er4 Er 0.94200 0.51209 0.23162 1.00000
Sc1 Sc 0.43811 0.90352 0.18042 1.00000
Sc2 Sc 0.06189 0.81958 0.09648 1.00000
Sc3 Sc 0.56189 0.09648 0.81958 1.00000
Sc4 Sc 0.93811 0.18042 0.90352 1.00000
Sc5 Sc 0.09739 0.13660 0.42098 1.00000
Sc6 Sc 0.40261 0.57902 0.86340 1.00000
Sc7 Sc 0.90261 0.86340 0.57902 1.00000
Sc8 Sc 0.59739 0.42098 0.13660 1.00000
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