Ac2PmPr5Dy
Alexandria ALEXAlex-ID: agm005166773 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_204_spg36
PmPr3Dy4 Ac12Pm5Pr Pr PrDy5
2023-01-17 22:52:41.350098
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005166773).
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 agm005166773
data_agm005166773
_cell_length_a 5.88545
_cell_length_b 10.88062
_cell_length_c 11.07452
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.69139
_cell_volume 682.75408
_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 0.88164 0.76328 0.82011 1.00000
Ac2 Ac 0.11209 0.22418 0.73339 1.00000
Ac3 Ac 0.11836 0.23672 0.32011 1.00000
Ac4 Ac 0.88791 0.77582 0.23339 1.00000
Pm1 Pm 0.79340 0.58679 0.50686 1.00000
Pm2 Pm 0.20660 0.41321 0.00686 1.00000
Pr1 Pr 0.39302 0.78604 0.02370 1.00000
Pr2 Pr 0.71763 0.43527 0.80820 1.00000
Pr3 Pr 0.48149 0.96298 0.74338 1.00000
Pr4 Pr 0.29463 0.58926 0.69888 1.00000
Pr5 Pr 0.98059 0.96118 0.52350 1.00000
Pr6 Pr 0.60698 0.21396 0.52370 1.00000
Pr7 Pr 0.28237 0.56473 0.30820 1.00000
Pr8 Pr 0.51851 0.03702 0.24338 1.00000
Pr9 Pr 0.70537 0.41074 0.19888 1.00000
Pr10 Pr 0.01941 0.03882 0.02350 1.00000
Dy1 Dy 0.59192 0.18383 0.96595 1.00000
Dy2 Dy 0.40808 0.81617 0.46595 1.00000
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