AcPmPr3Sm
Alexandria ALEXAlex-ID: agm005027872 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_468_spg12
Pm2Pr Ac12Pm5Pr Pr PrSm4
2022-07-09 16:09:07.449679
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005027872).
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 agm005027872
data_agm005027872
_cell_length_a 5.95418
_cell_length_b 10.92782
_cell_length_c 7.15432
_cell_angle_alpha 91.14941
_cell_angle_beta 90.00000
_cell_angle_gamma 105.80905
_cell_volume 447.79979
_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 0.35188 0.70376 0.96158 1.00000
Ac2 Ac 0.64812 0.29624 0.03842 1.00000
Pm1 Pm 0.05584 0.11167 0.27972 1.00000
Pm2 Pm 0.94416 0.88833 0.72028 1.00000
Pr1 Pr 0.84053 0.68106 0.25037 1.00000
Pr2 Pr 0.78113 0.56225 0.72504 1.00000
Pr3 Pr 0.48311 0.96622 0.25250 1.00000
Pr4 Pr 0.21887 0.43775 0.27496 1.00000
Pr5 Pr 0.51689 0.03378 0.74750 1.00000
Pr6 Pr 0.15947 0.31894 0.74963 1.00000
Sm1 Sm 0.64214 0.28428 0.49291 1.00000
Sm2 Sm 0.35786 0.71572 0.50709 1.00000
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