Sc4Al21Pt10
Alexandria ALEXAlex-ID: agm008501596 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B10C21_0_spg12
Al3Pt2 Sc4(Al8Pt3)3 ScAlPt
2024-11-09 10:05:47.435814
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008501596).
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 agm008501596
data_agm008501596
_cell_length_a 10.82842
_cell_length_b 10.82842
_cell_length_c 15.79041
_cell_angle_alpha 56.41784
_cell_angle_beta 56.41784
_cell_angle_gamma 22.25683
_cell_volume 579.22076
_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
Sc1 Sc 0.77095 0.77095 0.32593 1.00000
Sc2 Sc 0.22905 0.22905 0.67407 1.00000
Sc3 Sc 0.12314 0.12314 0.16528 1.00000
Sc4 Sc 0.87686 0.87686 0.83472 1.00000
Al1 Al 0.50000 0.50000 0.00000 1.00000
Al2 Al 0.88403 0.88403 0.04879 1.00000
Al3 Al 0.11597 0.11597 0.95121 1.00000
Al4 Al 0.54265 0.54265 0.13042 1.00000
Al5 Al 0.45735 0.45735 0.86958 1.00000
Al6 Al 0.93699 0.93699 0.29489 1.00000
Al7 Al 0.06301 0.06301 0.70511 1.00000
Al8 Al 0.63004 0.63004 0.30253 1.00000
Al9 Al 0.36996 0.36996 0.69747 1.00000
Al10 Al 0.00977 0.00977 0.40540 1.00000
Al11 Al 0.99023 0.99023 0.59460 1.00000
Al12 Al 0.24976 0.24976 0.20798 1.00000
Al13 Al 0.75024 0.75024 0.79202 1.00000
Al14 Al 0.38294 0.38294 0.20234 1.00000
Al15 Al 0.61706 0.61706 0.79766 1.00000
Al16 Al 0.39691 0.39691 0.49748 1.00000
Al17 Al 0.60309 0.60309 0.50252 1.00000
Al18 Al 0.79967 0.79967 0.50383 1.00000
Al19 Al 0.20033 0.20033 0.49617 1.00000
Al20 Al 0.30023 0.30023 0.00136 1.00000
Al21 Al 0.69977 0.69977 0.99864 1.00000
Pt1 Pt 0.74771 0.74771 0.11576 1.00000
Pt2 Pt 0.25229 0.25229 0.88424 1.00000
Pt3 Pt 0.97335 0.97335 0.11233 1.00000
Pt4 Pt 0.02665 0.02665 0.88767 1.00000
Pt5 Pt 0.34289 0.34289 0.38696 1.00000
Pt6 Pt 0.65711 0.65711 0.61304 1.00000
Pt7 Pt 0.13497 0.13497 0.39570 1.00000
Pt8 Pt 0.86503 0.86503 0.60430 1.00000
Pt9 Pt 0.50741 0.50741 0.31251 1.00000
Pt10 Pt 0.49259 0.49259 0.68749 1.00000
