Pm5NdY12
Alexandria ALEXAlex-ID: agm066499199 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C12_2_spg12
Pm2NdY6 PmY2
2025-02-03 09:12:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm066499199).
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 agm066499199
data_agm066499199
_cell_length_a 6.25570
_cell_length_b 6.25570
_cell_length_c 17.60181
_cell_angle_alpha 86.60433
_cell_angle_beta 93.39567
_cell_angle_gamma 60.02033
_cell_volume 592.46453
_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 0.50000 0.50000 0.50000 1.00000
Pm2 Pm 0.16666 0.16666 0.50000 1.00000
Pm3 Pm 0.83334 0.83334 0.50000 1.00000
Pm4 Pm 0.66670 0.66670 0.00000 1.00000
Pm5 Pm 0.33330 0.33330 0.00000 1.00000
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.88947 0.11053 0.66855 1.00000
Y2 Y 0.11053 0.88947 0.33145 1.00000
Y3 Y 0.72247 0.27753 0.16702 1.00000
Y4 Y 0.27753 0.72247 0.83298 1.00000
Y5 Y 0.38952 0.94400 0.16703 1.00000
Y6 Y 0.94400 0.38952 0.83297 1.00000
Y7 Y 0.05600 0.61048 0.16703 1.00000
Y8 Y 0.61048 0.05600 0.83297 1.00000
Y9 Y 0.44388 0.22280 0.33144 1.00000
Y10 Y 0.77720 0.55612 0.33144 1.00000
Y11 Y 0.22280 0.44388 0.66856 1.00000
Y12 Y 0.55612 0.77720 0.66856 1.00000
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