Pm4Pr7Sc
Alexandria ALEXAlex-ID: agm003668029 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_93_spg12
Pm2Pr Pr Sc
2022-04-27 15:14:45.972318
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003668029).
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 agm003668029
data_agm003668029
_cell_length_a 5.76368
_cell_length_b 9.87031
_cell_length_c 9.72073
_cell_angle_alpha 54.24981
_cell_angle_beta 72.75470
_cell_angle_gamma 73.02403
_cell_volume 423.56583
_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
Pm1 Pm 0.52963 0.30058 0.64016 1.00000
Pm2 Pm 0.47037 0.69942 0.35984 1.00000
Pm3 Pm 0.68192 0.77840 0.85775 1.00000
Pm4 Pm 0.31808 0.22160 0.14225 1.00000
Pr1 Pr 0.83828 0.90234 0.42109 1.00000
Pr2 Pr 0.16172 0.09766 0.57891 1.00000
Pr3 Pr 0.10193 0.57883 0.21730 1.00000
Pr4 Pr 0.89807 0.42117 0.78270 1.00000
Pr5 Pr 0.30052 0.64830 0.75067 1.00000
Pr6 Pr 0.50000 0.00000 0.00000 1.00000
Pr7 Pr 0.69948 0.35170 0.24933 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
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