Dy2Y12Zr
Alexandria ALEXAlex-ID: agm005771027 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C12_110_spg12
DyY15 DyY5 Zr
2023-07-18 22:32:11.849307
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005771027).
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 agm005771027
data_agm005771027
_cell_length_a 6.40365
_cell_length_b 6.40365
_cell_length_c 26.48459
_cell_angle_alpha 96.32948
_cell_angle_beta 96.32949
_cell_angle_gamma 116.11036
_cell_volume 953.81001
_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 0.44345 0.94345 0.24107 1.00000
Dy2 Dy 0.95351 0.45351 0.23950 1.00000
Dy3 Dy 0.05655 0.55655 0.75893 1.00000
Dy4 Dy 0.54649 0.04649 0.76050 1.00000
Y1 Y 0.58913 0.58722 0.80512 1.00000
Y2 Y 0.08722 0.08913 0.80512 1.00000
Y3 Y 0.94608 0.94618 0.93534 1.00000
Y4 Y 0.40016 0.90016 0.88023 1.00000
Y5 Y 0.09199 0.95004 0.33299 1.00000
Y6 Y 0.09984 0.59984 0.11977 1.00000
Y7 Y 0.70807 0.20807 0.64965 1.00000
Y8 Y 0.45004 0.59199 0.33299 1.00000
Y9 Y 0.44618 0.44608 0.93534 1.00000
Y10 Y 0.55392 0.55382 0.06466 1.00000
Y11 Y 0.27517 0.11838 0.55375 1.00000
Y12 Y 0.79193 0.29193 0.35035 1.00000
Y13 Y 0.04996 0.90801 0.66701 1.00000
Y14 Y 0.22483 0.38162 0.44625 1.00000
Y15 Y 0.05382 0.05392 0.06466 1.00000
Y16 Y 0.88162 0.72483 0.44625 1.00000
Y17 Y 0.61838 0.77517 0.55375 1.00000
Y18 Y 0.91087 0.91278 0.19488 1.00000
Y19 Y 0.96437 0.46437 0.55324 1.00000
Y20 Y 0.40801 0.54996 0.66701 1.00000
Y21 Y 0.89929 0.39929 0.87843 1.00000
Y22 Y 0.41278 0.41087 0.19488 1.00000
Y23 Y 0.53563 0.03563 0.44676 1.00000
Y24 Y 0.60071 0.10071 0.12157 1.00000
Zr1 Zr 0.49958 0.99958 0.00029 1.00000
Zr2 Zr 0.00042 0.50042 0.99971 1.00000
