Ac3P4Pt7
Alexandria ALEXAlex-ID: agm009809396 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_31_spg12
AcPPt3 AcPPt P2Pt
2024-03-31 17:00:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009809396).
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 agm009809396
data_agm009809396
_cell_length_a 4.04608
_cell_length_b 8.38883
_cell_length_c 9.33811
_cell_angle_alpha 66.62672
_cell_angle_beta 82.09354
_cell_angle_gamma 78.97078
_cell_volume 284.90055
_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
Ac1 Ac 0.29992 0.22656 0.13402 1.00000
Ac2 Ac 0.70008 0.77344 0.86598 1.00000
Ac3 Ac 0.00000 0.50000 0.50000 1.00000
P1 P 0.68425 0.46927 0.21530 1.00000
P2 P 0.31575 0.53073 0.78470 1.00000
P3 P 0.79711 0.91767 0.40662 1.00000
P4 P 0.20289 0.08233 0.59338 1.00000
Pt1 Pt 0.29859 0.80266 0.55364 1.00000
Pt2 Pt 0.44545 0.17253 0.75794 1.00000
Pt3 Pt 0.84892 0.35553 0.84048 1.00000
Pt4 Pt 0.70141 0.19734 0.44636 1.00000
Pt5 Pt 0.15108 0.64447 0.15952 1.00000
Pt6 Pt 0.00000 0.00000 0.00000 1.00000
Pt7 Pt 0.55455 0.82747 0.24206 1.00000
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