Pm6PrSc4
Alexandria ALEXAlex-ID: agm003663380 · Space group: P-6m2 (#187)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_3_spg187
Pm Pm2Pr Sc
2022-04-08 12:56:01.048293
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003663380).
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 agm003663380
data_agm003663380
_cell_length_a 5.33561
_cell_length_b 8.81564
_cell_length_c 8.81564
_cell_angle_alpha 120.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 359.10575
_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 0.00000 0.53178 0.06357 1.00000
Pm2 Pm 0.50000 0.60935 0.80468 1.00000
Pm3 Pm 0.00000 0.53178 0.46822 1.00000
Pm4 Pm 0.00000 0.93643 0.46822 1.00000
Pm5 Pm 0.50000 0.19533 0.80468 1.00000
Pm6 Pm 0.50000 0.19533 0.39065 1.00000
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Sc1 Sc 0.50000 0.78477 0.56954 1.00000
Sc2 Sc 0.50000 0.43046 0.21523 1.00000
Sc3 Sc 0.50000 0.78477 0.21523 1.00000
Sc4 Sc 0.00000 0.33333 0.66667 1.00000
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