Pm4Pr5Sc2
Alexandria ALEXAlex-ID: agm005643336 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_175_spg12
Pm2Pr Pr Sc
2023-06-22 13:24:41.451342
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643336).
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 agm005643336
data_agm005643336
_cell_length_a 3.55167
_cell_length_b 8.73642
_cell_length_c 12.17346
_cell_angle_alpha 94.41481
_cell_angle_beta 98.38884
_cell_angle_gamma 90.00014
_cell_volume 372.55429
_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 0.27380 0.17574 0.54762 1.00000
Pm2 Pm 0.96216 0.64964 0.92433 1.00000
Pm3 Pm 0.72620 0.82426 0.45238 1.00000
Pm4 Pm 0.03784 0.35036 0.07567 1.00000
Pr1 Pr 0.81964 0.52239 0.63930 1.00000
Pr2 Pr 0.18036 0.47761 0.36070 1.00000
Pr3 Pr 0.86993 0.96119 0.73986 1.00000
Pr4 Pr 0.50000 0.00000 0.00000 1.00000
Pr5 Pr 0.13007 0.03881 0.26014 1.00000
Sc1 Sc 0.41346 0.30469 0.82693 1.00000
Sc2 Sc 0.58654 0.69531 0.17307 1.00000
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