Pm2Nd3SmHo6
Alexandria ALEXAlex-ID: agm017677730 · Space group: P-31m (#162)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_48_spg12
PmNd3Ho4 PmSm3Ho4 Pm3SmHo4
2024-12-05 11:48:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017677730).
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 agm017677730
data_agm017677730
_cell_length_a 6.24792
_cell_length_b 6.24792
_cell_length_c 11.58941
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 391.79927
_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
Pm1 Pm 0.33333 0.66667 0.00000 1.00000
Pm2 Pm 0.66667 0.33333 0.00000 1.00000
Nd1 Nd 0.66667 0.33333 0.50000 1.00000
Nd2 Nd 0.33333 0.66667 0.50000 1.00000
Nd3 Nd 0.00000 0.00000 0.50000 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Ho1 Ho 0.00000 0.66674 0.24916 1.00000
Ho2 Ho 0.66674 0.66674 0.75084 1.00000
Ho3 Ho 0.00000 0.33326 0.75084 1.00000
Ho4 Ho 0.66674 0.00000 0.24916 1.00000
Ho5 Ho 0.33326 0.33326 0.24916 1.00000
Ho6 Ho 0.33326 0.00000 0.75084 1.00000
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