Ac5Pr2NdY
Alexandria ALEXAlex-ID: agm005153443 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_252_spg36
Pr3NdY4 Pr3Nd3Y2 Ac Pr
2023-01-26 03:32:27.524015
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005153443).
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 agm005153443
data_agm005153443
_cell_length_a 5.89235
_cell_length_b 11.73280
_cell_length_c 11.13433
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 104.54296
_cell_volume 745.09414
_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
Ac1 Ac 0.36976 0.73951 0.00835 1.00000
Ac2 Ac 0.71895 0.43790 0.82222 1.00000
Ac3 Ac 0.49991 0.99983 0.75814 1.00000
Ac4 Ac 0.28129 0.56257 0.69435 1.00000
Ac5 Ac 0.99682 0.99364 0.50820 1.00000
Ac6 Ac 0.63024 0.26049 0.50835 1.00000
Ac7 Ac 0.28105 0.56210 0.32222 1.00000
Ac8 Ac 0.50009 0.00017 0.25814 1.00000
Ac9 Ac 0.71871 0.43743 0.19435 1.00000
Ac10 Ac 0.00318 0.00636 0.00820 1.00000
Pr1 Pr 0.88661 0.77321 0.76788 1.00000
Pr2 Pr 0.11344 0.22688 0.74869 1.00000
Pr3 Pr 0.11339 0.22679 0.26788 1.00000
Pr4 Pr 0.88656 0.77312 0.24869 1.00000
Nd1 Nd 0.80400 0.60800 0.50826 1.00000
Nd2 Nd 0.19600 0.39200 0.00826 1.00000
Y1 Y 0.59866 0.19732 0.00788 1.00000
Y2 Y 0.40134 0.80268 0.50788 1.00000
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