Dy12ErSc2
Alexandria ALEXAlex-ID: agm005789367 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C12_104_spg65
Dy7Er2 Dy Sc
2023-07-20 12:45:38.082636
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005789367).
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 agm005789367
data_agm005789367
_cell_length_a 5.97525
_cell_length_b 5.97525
_cell_length_c 30.16553
_cell_angle_alpha 104.15009
_cell_angle_beta 104.15010
_cell_angle_gamma 107.13299
_cell_volume 937.98406
_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
Dy1 Dy 0.65618 0.65618 0.80423 1.00000
Dy2 Dy 0.15618 0.15618 0.80423 1.00000
Dy3 Dy 0.88556 0.88556 0.93471 1.00000
Dy4 Dy 0.27078 0.77078 0.86950 1.00000
Dy5 Dy 0.06149 0.06149 0.32011 1.00000
Dy6 Dy 0.22922 0.72922 0.13050 1.00000
Dy7 Dy 0.83102 0.33102 0.61815 1.00000
Dy8 Dy 0.56149 0.56149 0.32011 1.00000
Dy9 Dy 0.38556 0.38556 0.93471 1.00000
Dy10 Dy 0.61444 0.61444 0.06529 1.00000
Dy11 Dy 0.21691 0.21690 0.55270 1.00000
Dy12 Dy 0.66898 0.16898 0.38185 1.00000
Dy13 Dy 0.93851 0.93851 0.67989 1.00000
Dy14 Dy 0.28309 0.28310 0.44730 1.00000
Dy15 Dy 0.11444 0.11444 0.06529 1.00000
Dy16 Dy 0.78310 0.78309 0.44730 1.00000
Dy17 Dy 0.71690 0.71691 0.55270 1.00000
Dy18 Dy 0.84382 0.84382 0.19577 1.00000
Dy19 Dy 0.33102 0.83102 0.61815 1.00000
Dy20 Dy 0.43851 0.43851 0.67989 1.00000
Dy21 Dy 0.77078 0.27078 0.86950 1.00000
Dy22 Dy 0.34382 0.34382 0.19577 1.00000
Dy23 Dy 0.16898 0.66898 0.38185 1.00000
Dy24 Dy 0.72922 0.22922 0.13050 1.00000
Er1 Er 0.50000 0.00000 1.00000 1.00000
Er2 Er 1.00000 0.50000 0.00000 1.00000
Sc1 Sc 0.45230 0.95230 0.25773 1.00000
Sc2 Sc 0.95229 0.45229 0.25774 1.00000
Sc3 Sc 0.04770 0.54770 0.74227 1.00000
Sc4 Sc 0.54771 0.04771 0.74226 1.00000
