Sm3Dy6HoTh2
Alexandria ALEXAlex-ID: agm004659366 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_178_spg12
DyTh Sm3Dy5 HoTh
2022-06-29 19:29:11.912695
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004659366).
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 agm004659366
data_agm004659366
_cell_length_a 6.18622
_cell_length_b 6.18622
_cell_length_c 11.79194
_cell_angle_alpha 95.02937
_cell_angle_beta 95.02937
_cell_angle_gamma 119.96199
_cell_volume 384.91091
_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
Sm1 Sm 0.16649 0.83351 0.50000 1.00000
Sm2 Sm 0.83351 0.16649 0.50000 1.00000
Sm3 Sm 0.50000 0.50000 0.50000 1.00000
Dy1 Dy 0.91791 0.58100 0.75421 1.00000
Dy2 Dy 0.74504 0.74504 0.24622 1.00000
Dy3 Dy 0.08209 0.41900 0.24579 1.00000
Dy4 Dy 0.58100 0.91791 0.75421 1.00000
Dy5 Dy 0.25496 0.25496 0.75378 1.00000
Dy6 Dy 0.41900 0.08209 0.24579 1.00000
Ho1 Ho 0.00000 0.00000 0.00000 1.00000
Th1 Th 0.33344 0.66656 0.00000 1.00000
Th2 Th 0.66656 0.33344 0.00000 1.00000
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