Nd3Dy6Tm2Th
Alexandria ALEXAlex-ID: agm004657690 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_178_spg12
Nd2Dy7 Nd3Dy5 Tm2Th
2022-06-28 03:08:33.425050
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004657690).
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 agm004657690
data_agm004657690
_cell_length_a 6.18607
_cell_length_b 6.18607
_cell_length_c 11.83853
_cell_angle_alpha 95.00951
_cell_angle_beta 95.00951
_cell_angle_gamma 119.98221
_cell_volume 386.37889
_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
Nd1 Nd 0.16694 0.83306 0.50000 1.00000
Nd2 Nd 0.83306 0.16694 0.50000 1.00000
Nd3 Nd 0.50000 0.50000 0.50000 1.00000
Dy1 Dy 0.91768 0.58728 0.75452 1.00000
Dy2 Dy 0.75195 0.75195 0.24551 1.00000
Dy3 Dy 0.08232 0.41272 0.24548 1.00000
Dy4 Dy 0.58728 0.91768 0.75452 1.00000
Dy5 Dy 0.24805 0.24805 0.75449 1.00000
Dy6 Dy 0.41272 0.08232 0.24548 1.00000
Tm1 Tm 0.33322 0.66678 0.00000 1.00000
Tm2 Tm 0.66678 0.33322 0.00000 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
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