Ca(DyY3)2
Alexandria ALEXAlex-ID: agm005679465 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1967_spg15
Dy5Y DyY5 Ca
2023-07-06 17:50:11.919628
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005679465).
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 agm005679465
data_agm005679465
_cell_length_a 9.30249
_cell_length_b 9.30250
_cell_length_c 13.49337
_cell_angle_alpha 132.60433
_cell_angle_beta 132.60420
_cell_angle_gamma 51.32604
_cell_volume 601.92778
_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
Ca1 Ca 0.11927 0.88073 0.25000 1.00000
Ca2 Ca 0.88073 0.11927 0.75000 1.00000
Dy1 Dy 0.26002 0.57609 0.36734 1.00000
Dy2 Dy 0.42391 0.73998 0.13266 1.00000
Dy3 Dy 0.73998 0.42391 0.63266 1.00000
Dy4 Dy 0.57609 0.26002 0.86734 1.00000
Y1 Y 0.35953 0.25950 0.47847 1.00000
Y2 Y 0.74050 0.64047 0.02153 1.00000
Y3 Y 0.64047 0.74050 0.52153 1.00000
Y4 Y 0.25950 0.35953 0.97847 1.00000
Y5 Y 0.17450 0.63244 0.76241 1.00000
Y6 Y 0.36756 0.82550 0.73759 1.00000
Y7 Y 0.82550 0.36756 0.23759 1.00000
Y8 Y 0.63244 0.17450 0.26241 1.00000
Y9 Y 0.13733 0.15122 0.08344 1.00000
Y10 Y 0.84878 0.86267 0.41656 1.00000
Y11 Y 0.86267 0.84878 0.91656 1.00000
Y12 Y 0.15122 0.13733 0.58344 1.00000
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