Pm2Nd5Y12
Alexandria ALEXAlex-ID: agm005654572 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_345_spg2
Pm(NdY3)2 NdY2 PmNd3Y4
2023-06-26 18:28:23.846325
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005654572).
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 agm005654572
data_agm005654572
_cell_length_a 6.81608
_cell_length_b 14.29654
_cell_length_c 14.20908
_cell_angle_alpha 150.88967
_cell_angle_beta 84.35942
_cell_angle_gamma 102.70069
_cell_volume 644.16501
_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 0.73060 0.92348 0.93839 1.00000
Pm2 Pm 0.26940 0.07652 0.06161 1.00000
Nd1 Nd 0.26879 0.58050 0.56011 1.00000
Nd2 Nd 0.39120 0.77875 0.37441 1.00000
Nd3 Nd 0.00000 0.00000 0.50000 1.00000
Nd4 Nd 0.60880 0.22125 0.62559 1.00000
Nd5 Nd 0.73121 0.41950 0.43989 1.00000
Y1 Y 0.96536 0.15141 0.35993 1.00000
Y2 Y 0.14846 0.55904 0.96233 1.00000
Y3 Y 0.66532 0.71260 0.10042 1.00000
Y4 Y 0.03219 0.34434 0.15679 1.00000
Y5 Y 0.56920 0.48729 0.27944 1.00000
Y6 Y 0.58541 0.00763 0.78162 1.00000
Y7 Y 0.41459 0.99237 0.21838 1.00000
Y8 Y 0.96781 0.65566 0.84321 1.00000
Y9 Y 0.43080 0.51271 0.72056 1.00000
Y10 Y 0.85154 0.44096 0.03767 1.00000
Y11 Y 0.33468 0.28740 0.89958 1.00000
Y12 Y 0.03464 0.84859 0.64007 1.00000
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