Ac3PrRu
Alexandria ALEXAlex-ID: agm005823964 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_5112_spg46
Pr5Ru2 Ac4Ru Pr
2023-07-05 15:47:50.678383
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005823964).
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 agm005823964
data_agm005823964
_cell_length_a 7.90734
_cell_length_b 7.90734
_cell_length_c 7.91512
_cell_angle_alpha 111.26673
_cell_angle_beta 111.53282
_cell_angle_gamma 105.63681
_cell_volume 379.91870
_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 0.83088 0.04356 0.28530 1.00000
Ac2 Ac 0.24173 0.45441 0.28530 1.00000
Ac3 Ac 0.75827 0.54559 0.71470 1.00000
Ac4 Ac 0.70740 0.45661 0.16401 1.00000
Ac5 Ac 0.16912 0.95644 0.71470 1.00000
Ac6 Ac 0.29260 0.54339 0.83599 1.00000
Pr1 Pr 0.70111 0.03898 0.74009 1.00000
Pr2 Pr 0.29889 0.96102 0.25991 1.00000
Ru1 Ru 0.58686 0.75076 0.33761 1.00000
Ru2 Ru 0.41314 0.24924 0.66239 1.00000
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