DyY2Ho5Th
Alexandria ALEXAlex-ID: agm005154584 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_252_spg36
Dy5Ho Ho2Th Dy2Ho7 Y5Ho
2023-01-19 14:42:21.960962
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005154584).
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 agm005154584
data_agm005154584
_cell_length_a 5.68457
_cell_length_b 11.05187
_cell_length_c 9.71680
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 104.90261
_cell_volume 589.92629
_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 0.80880 0.61760 0.51752 1.00000
Dy2 Dy 0.19120 0.38240 0.01752 1.00000
Y1 Y 0.88489 0.76979 0.82881 1.00000
Y2 Y 0.12848 0.25697 0.71242 1.00000
Y3 Y 0.11511 0.23021 0.32881 1.00000
Y4 Y 0.87152 0.74303 0.21242 1.00000
Ho1 Ho 0.39900 0.79801 0.04041 1.00000
Ho2 Ho 0.72833 0.45666 0.82481 1.00000
Ho3 Ho 0.46939 0.93878 0.74144 1.00000
Ho4 Ho 0.30434 0.60867 0.71580 1.00000
Ho5 Ho 0.98484 0.96969 0.51850 1.00000
Ho6 Ho 0.60100 0.20199 0.54041 1.00000
Ho7 Ho 0.27167 0.54334 0.32481 1.00000
Ho8 Ho 0.53061 0.06122 0.24144 1.00000
Ho9 Ho 0.69566 0.39133 0.21580 1.00000
Ho10 Ho 0.01516 0.03031 0.01850 1.00000
Th1 Th 0.59424 0.18848 0.92427 1.00000
Th2 Th 0.40576 0.81152 0.42427 1.00000
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