Pm8NdY3
Alexandria ALEXAlex-ID: agm005953293 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_275_spg71
Pm3NdY4 Pm5Y Pm2Nd
2023-09-13 01:45:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005953293).
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 agm005953293
data_agm005953293
_cell_length_a 8.64029
_cell_length_b 8.65363
_cell_length_c 8.64029
_cell_angle_alpha 94.94359
_cell_angle_beta 136.64749
_cell_angle_gamma 100.73464
_cell_volume 411.53861
_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 0.50126 0.33436 0.16726 1.00000
Pm2 Pm 0.50119 0.83338 0.66827 1.00000
Pm3 Pm 0.83289 0.66564 0.16690 1.00000
Pm4 Pm 0.83489 0.16662 0.66781 1.00000
Pm5 Pm 0.16536 0.41752 0.24958 1.00000
Pm6 Pm 0.83249 0.08458 0.25008 1.00000
Pm7 Pm 0.83206 0.58248 0.74784 1.00000
Pm8 Pm 0.16551 0.91542 0.74791 1.00000
Nd1 Nd 0.16870 0.00000 0.16870 1.00000
Y1 Y 0.49859 0.74905 0.24760 1.00000
Y2 Y 0.49856 0.25096 0.74954 1.00000
Y3 Y 0.16850 0.50000 0.66850 1.00000
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