Pm2Pr8Sc3
Alexandria ALEXAlex-ID: agm005606435 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_364_spg2
Pm2Pr Pr Sc
2023-06-16 09:51:45.035538
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005606435).
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 agm005606435
data_agm005606435
_cell_length_a 6.26160
_cell_length_b 6.24547
_cell_length_c 11.30479
_cell_angle_alpha 79.65081
_cell_angle_beta 89.62358
_cell_angle_gamma 99.55415
_cell_volume 428.56564
_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 0.76776 0.61466 0.53874 1.00000
Pm2 Pm 0.23224 0.38534 0.46126 1.00000
Pr1 Pr 0.08792 0.45415 0.14422 1.00000
Pr2 Pr 0.91208 0.54585 0.85578 1.00000
Pr3 Pr 0.16124 0.92270 0.29794 1.00000
Pr4 Pr 0.83876 0.07730 0.70206 1.00000
Pr5 Pr 0.30618 0.84649 0.62270 1.00000
Pr6 Pr 0.37894 0.30910 0.78436 1.00000
Pr7 Pr 0.62106 0.69090 0.21564 1.00000
Pr8 Pr 0.69382 0.15351 0.37730 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Sc2 Sc 0.54213 0.21845 0.07197 1.00000
Sc3 Sc 0.45787 0.78155 0.92803 1.00000
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