PmNd7Y3
Alexandria ALEXAlex-ID: agm005962272 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C7_118_spg12
PmNd3Y4 Pm2Nd Nd
2023-08-12 22:48:08.491815
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005962272).
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 agm005962272
data_agm005962272
_cell_length_a 6.48384
_cell_length_b 7.83880
_cell_length_c 7.83883
_cell_angle_alpha 81.66329
_cell_angle_beta 94.34031
_cell_angle_gamma 94.34010
_cell_volume 392.22599
_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
Nd1 Nd 0.21340 0.23732 0.23732 1.00000
Nd2 Nd 0.26024 0.92452 0.57569 1.00000
Nd3 Nd 0.73976 0.42431 0.07548 1.00000
Nd4 Nd 0.26024 0.57569 0.92452 1.00000
Nd5 Nd 0.00000 0.50000 0.50000 1.00000
Nd6 Nd 0.73976 0.07548 0.42431 1.00000
Nd7 Nd 0.78660 0.76268 0.76268 1.00000
Y1 Y 0.00000 0.83056 0.16944 1.00000
Y2 Y 0.50000 0.00000 0.00000 1.00000
Y3 Y 1.00000 0.16944 0.83056 1.00000
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