Y6Er12Zr
Alexandria ALEXAlex-ID: agm006114549 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_40_spg148
Y5Er YEr5 Zr
2023-08-30 03:59:56.044331
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006114549).
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 agm006114549
data_agm006114549
_cell_length_a 8.58640
_cell_length_b 8.58640
_cell_length_c 8.58640
_cell_angle_alpha 98.66763
_cell_angle_beta 98.66762
_cell_angle_gamma 98.66762
_cell_volume 608.84786
_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 0.90157 0.33418 0.90157 1.00000
Y2 Y 0.90157 0.90157 0.33418 1.00000
Y3 Y 0.33418 0.90157 0.90157 1.00000
Y4 Y 0.09843 0.09843 0.66582 1.00000
Y5 Y 0.09843 0.66582 0.09843 1.00000
Y6 Y 0.66582 0.09843 0.09843 1.00000
Er1 Er 0.75459 0.24541 0.50000 1.00000
Er2 Er 0.35005 0.07996 0.35005 1.00000
Er3 Er 0.35005 0.35005 0.07996 1.00000
Er4 Er 0.92004 0.64995 0.64995 1.00000
Er5 Er 0.64995 0.64995 0.92004 1.00000
Er6 Er 0.64995 0.92004 0.64995 1.00000
Er7 Er 0.50000 0.75459 0.24541 1.00000
Er8 Er 0.24541 0.50000 0.75459 1.00000
Er9 Er 0.24541 0.75459 0.50000 1.00000
Er10 Er 0.50000 0.24541 0.75459 1.00000
Er11 Er 0.75459 0.50000 0.24541 1.00000
Er12 Er 0.07996 0.35005 0.35005 1.00000
Zr1 Zr 0.00000 0.00000 0.00000 1.00000
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