AcPm(Pr3Nd)2
Alexandria ALEXAlex-ID: agm004972829 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_695_spg15
Pm2Nd Ac12Pm5Pr Pr PrNd2
2022-08-01 14:43:09.856864
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004972829).
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 agm004972829
data_agm004972829
_cell_length_a 10.02297
_cell_length_b 9.19788
_cell_length_c 9.19788
_cell_angle_alpha 118.21126
_cell_angle_beta 93.49890
_cell_angle_gamma 93.49890
_cell_volume 741.92825
_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 0.25000 0.97665 0.02335 1.00000
Ac2 Ac 0.75000 0.02335 0.97665 1.00000
Pm1 Pm 0.25000 0.40821 0.59179 1.00000
Pm2 Pm 0.75000 0.59179 0.40821 1.00000
Pr1 Pr 0.05372 0.12223 0.74621 1.00000
Pr2 Pr 0.44628 0.25379 0.87777 1.00000
Pr3 Pr 0.94628 0.87777 0.25379 1.00000
Pr4 Pr 0.55372 0.74621 0.12223 1.00000
Pr5 Pr 0.31441 0.98156 0.43790 1.00000
Pr6 Pr 0.18559 0.56210 0.01844 1.00000
Pr7 Pr 0.68559 0.01844 0.56210 1.00000
Pr8 Pr 0.81441 0.43790 0.98156 1.00000
Pr9 Pr 0.11778 0.70539 0.49863 1.00000
Pr10 Pr 0.38222 0.50137 0.29461 1.00000
Pr11 Pr 0.88222 0.29461 0.50137 1.00000
Pr12 Pr 0.61778 0.49863 0.70539 1.00000
Nd1 Nd 0.45533 0.80600 0.69378 1.00000
Nd2 Nd 0.04467 0.30622 0.19400 1.00000
Nd3 Nd 0.54467 0.19400 0.30622 1.00000
Nd4 Nd 0.95533 0.69378 0.80600 1.00000
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