Dy2Y12Th
Alexandria ALEXAlex-ID: agm005776983 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C12_73_spg12
Y2Th DyY5
2023-07-21 02:41:06.090939
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005776983).
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 agm005776983
data_agm005776983
_cell_length_a 6.64255
_cell_length_b 6.64255
_cell_length_c 25.02946
_cell_angle_alpha 83.39105
_cell_angle_beta 83.39105
_cell_angle_gamma 115.02597
_cell_volume 977.45815
_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 0.54798 0.04798 0.27239 1.00000
Dy2 Dy 0.04358 0.54358 0.27179 1.00000
Dy3 Dy 0.95202 0.45202 0.72761 1.00000
Dy4 Dy 0.45642 0.95642 0.72821 1.00000
Y1 Y 0.40182 0.40170 0.79813 1.00000
Y2 Y 0.90170 0.90182 0.79813 1.00000
Y3 Y 0.55459 0.55473 0.92742 1.00000
Y4 Y 0.10275 0.60275 0.86264 1.00000
Y5 Y 0.00491 0.99932 0.33022 1.00000
Y6 Y 0.39725 0.89725 0.13736 1.00000
Y7 Y 0.81278 0.31278 0.57838 1.00000
Y8 Y 0.49932 0.50491 0.33022 1.00000
Y9 Y 0.05473 0.05459 0.92742 1.00000
Y10 Y 0.94541 0.94527 0.07258 1.00000
Y11 Y 0.32948 0.33717 0.55492 1.00000
Y12 Y 0.68722 0.18722 0.42162 1.00000
Y13 Y 0.00068 0.99509 0.66978 1.00000
Y14 Y 0.17052 0.16283 0.44508 1.00000
Y15 Y 0.44527 0.44541 0.07258 1.00000
Y16 Y 0.66283 0.67052 0.44508 1.00000
Y17 Y 0.83717 0.82948 0.55492 1.00000
Y18 Y 0.09818 0.09830 0.20187 1.00000
Y19 Y 0.32461 0.82461 0.57249 1.00000
Y20 Y 0.49509 0.50068 0.66978 1.00000
Y21 Y 0.60285 0.10285 0.86280 1.00000
Y22 Y 0.59830 0.59818 0.20187 1.00000
Y23 Y 0.17539 0.67539 0.42751 1.00000
Y24 Y 0.89715 0.39715 0.13720 1.00000
Th1 Th 0.50043 0.00043 0.00004 1.00000
Th2 Th 0.99957 0.49957 0.99996 1.00000
