AcPm5Pr8
Alexandria ALEXAlex-ID: agm006113079 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C8_5_spg82
Pm2Pr Ac12Pm5Pr Pr
2023-08-11 06:02:55.971040
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006113079).
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 agm006113079
data_agm006113079
_cell_length_a 8.78852
_cell_length_b 8.78852
_cell_length_c 8.78853
_cell_angle_alpha 111.41077
_cell_angle_beta 105.65822
_cell_angle_gamma 111.41070
_cell_volume 520.82635
_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 0.50000 0.75000 1.00000
Pm1 Pm 0.04102 0.31947 0.13546 1.00000
Pm2 Pm 0.86454 0.90556 0.18401 1.00000
Pm3 Pm 0.81599 0.68053 0.72155 1.00000
Pm4 Pm 0.50000 0.00000 0.50000 1.00000
Pm5 Pm 0.27845 0.09444 0.95898 1.00000
Pr1 Pr 0.16317 0.73974 0.08057 1.00000
Pr2 Pr 0.91943 0.08260 0.65917 1.00000
Pr3 Pr 0.71704 0.24898 0.32123 1.00000
Pr4 Pr 0.67877 0.39581 0.92776 1.00000
Pr5 Pr 0.53195 0.60419 0.28296 1.00000
Pr6 Pr 0.57657 0.91740 0.83683 1.00000
Pr7 Pr 0.34083 0.26026 0.42343 1.00000
Pr8 Pr 0.07224 0.75102 0.46805 1.00000
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