Ac2B3Pt8
Alexandria ALEXAlex-ID: agm005646312 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_294_spg12
AcBPt4 AcB6 Ac(BPt3)2
2023-06-15 13:47:03.969648
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646312).
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 agm005646312
data_agm005646312
_cell_length_a 5.89183
_cell_length_b 6.99852
_cell_length_c 7.28372
_cell_angle_alpha 67.44976
_cell_angle_beta 66.14331
_cell_angle_gamma 90.00005
_cell_volume 249.36225
_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 0.74652 0.72577 0.50696 1.00000
Ac2 Ac 0.25393 0.27658 0.49214 1.00000
B1 B 0.99941 0.49824 0.00119 1.00000
B2 B 0.27868 0.99904 0.00086 1.00000
B3 B 0.72046 0.99904 0.00086 1.00000
Pt1 Pt 0.36593 0.95345 0.26814 1.00000
Pt2 Pt 0.63363 0.04740 0.73275 1.00000
Pt3 Pt 0.82416 0.36447 0.35168 1.00000
Pt4 Pt 0.17522 0.63702 0.64956 1.00000
Pt5 Pt 0.76097 0.30392 0.96201 1.00000
Pt6 Pt 0.27702 0.30392 0.96201 1.00000
Pt7 Pt 0.72391 0.69558 0.03592 1.00000
Pt8 Pt 0.24016 0.69557 0.03592 1.00000
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