Pm4Nd2Y5
Alexandria ALEXAlex-ID: agm005640073 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_218_spg12
Pm3NdY4 PmNd3Y4 Pm2Nd
2023-06-22 20:48:55.674461
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005640073).
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 agm005640073
data_agm005640073
_cell_length_a 5.86579
_cell_length_b 6.43583
_cell_length_c 10.31552
_cell_angle_alpha 94.21167
_cell_angle_beta 106.51815
_cell_angle_gamma 89.99999
_cell_volume 372.25526
_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 0.30559 0.92812 0.61118 1.00000
Pm2 Pm 0.96567 0.73000 0.93134 1.00000
Pm3 Pm 0.69441 0.07188 0.38882 1.00000
Pm4 Pm 0.03433 0.27000 0.06866 1.00000
Nd1 Nd 0.40133 0.45921 0.80266 1.00000
Nd2 Nd 0.59867 0.54079 0.19734 1.00000
Y1 Y 0.78624 0.60733 0.57249 1.00000
Y2 Y 0.21376 0.39267 0.42751 1.00000
Y3 Y 0.86933 0.14146 0.73866 1.00000
Y4 Y 0.50000 0.00000 0.00000 1.00000
Y5 Y 0.13067 0.85854 0.26134 1.00000
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