Pm4Y10Sc
Alexandria ALEXAlex-ID: agm005996330 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C10_59_spg139
Pm2Y7 PmY2 Sc
2023-08-08 18:17:23.961949
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005996330).
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 agm005996330
data_agm005996330
_cell_length_a 7.64109
_cell_length_b 8.96131
_cell_length_c 8.96131
_cell_angle_alpha 79.52748
_cell_angle_beta 64.76463
_cell_angle_gamma 64.76463
_cell_volume 502.08533
_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 0.23210 0.99964 0.53616 1.00000
Pm2 Pm 0.76826 0.46384 0.99964 1.00000
Pm3 Pm 0.23174 0.53616 0.00036 1.00000
Pm4 Pm 0.76790 0.00036 0.46384 1.00000
Y1 Y 0.25000 0.50000 0.50000 1.00000
Y2 Y 0.71724 0.20853 0.79134 1.00000
Y3 Y 0.07424 0.20866 0.20853 1.00000
Y4 Y 0.49142 0.79134 0.79147 1.00000
Y5 Y 0.71710 0.79147 0.20866 1.00000
Y6 Y 0.28276 0.79147 0.20866 1.00000
Y7 Y 0.75000 0.50000 0.50000 1.00000
Y8 Y 0.28290 0.20853 0.79134 1.00000
Y9 Y 0.50858 0.20866 0.20853 1.00000
Y10 Y 0.92576 0.79134 0.79147 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
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