SrAc3Pt4
Alexandria ALEXAlex-ID: agm006010405 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_12_spg65
SrAcPt2 AcPt
2023-10-06 07:32:46.896116
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006010405).
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
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# CIF generated by HEAS from Alexandria entry agm006010405
data_agm006010405
_cell_length_a 4.36962
_cell_length_b 7.59525
_cell_length_c 7.59524
_cell_angle_alpha 70.76970
_cell_angle_beta 89.98702
_cell_angle_gamma 89.98706
_cell_volume 238.00826
_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
Sr1 Sr 0.49997 0.50014 0.99995 1.00000
Ac1 Ac 0.49997 0.00014 0.49995 1.00000
Ac2 Ac 0.99994 0.00009 0.99999 1.00000
Ac3 Ac 0.99994 0.50010 0.49999 1.00000
Pt1 Pt 0.99997 0.75725 0.74283 1.00000
Pt2 Pt 0.50008 0.75323 0.25313 1.00000
Pt3 Pt 0.99997 0.24302 0.25706 1.00000
Pt4 Pt 0.49981 0.24696 0.74686 1.00000
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