Pr4Y7Sc
Alexandria ALEXAlex-ID: agm003665136 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_103_spg12
Pr PrY2 Sc
2022-04-20 14:56:31.453961
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003665136).
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 agm003665136
data_agm003665136
_cell_length_a 5.37833
_cell_length_b 13.36721
_cell_length_c 6.38531
_cell_angle_alpha 94.78612
_cell_angle_beta 65.09287
_cell_angle_gamma 78.39425
_cell_volume 400.48006
_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
Pr1 Pr 0.74597 0.21595 0.29212 1.00000
Pr2 Pr 0.25403 0.78405 0.70788 1.00000
Pr3 Pr 0.58291 0.73821 0.09598 1.00000
Pr4 Pr 0.41709 0.26179 0.90402 1.00000
Y1 Y 0.83359 0.90069 0.43214 1.00000
Y2 Y 0.16641 0.09931 0.56786 1.00000
Y3 Y 0.95903 0.62906 0.45287 1.00000
Y4 Y 0.04097 0.37094 0.54713 1.00000
Y5 Y 0.32778 0.53467 0.80977 1.00000
Y6 Y 0.50000 0.00000 0.00000 1.00000
Y7 Y 0.67222 0.46533 0.19023 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
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