Pm5Pt4O
Alexandria ALEXAlex-ID: agm003658874 · Space group: I4 (#79)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_149_spg79
Pm5Pt3 Pm2O3 PmPt
2022-04-07 17:56:13.400571
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003658874).
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 agm003658874
data_agm003658874
_cell_length_a 5.84731
_cell_length_b 7.05176
_cell_length_c 7.05176
_cell_angle_alpha 80.10214
_cell_angle_beta 65.50593
_cell_angle_gamma 65.50593
_cell_volume 240.78971
_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 0.89677 0.37715 0.82931 1.00000
Pm2 Pm 0.27392 0.82931 0.62285 1.00000
Pm3 Pm 0.72608 0.17069 0.37715 1.00000
Pm4 Pm 0.10323 0.62285 0.17069 1.00000
Pm5 Pm 0.45319 0.00000 0.00000 1.00000
Pt1 Pt 0.41287 0.39681 0.77859 1.00000
Pt2 Pt 0.80968 0.77859 0.60319 1.00000
Pt3 Pt 0.19146 0.22141 0.39681 1.00000
Pt4 Pt 0.58827 0.60319 0.22141 1.00000
O1 O 0.05483 1.00000 1.00000 1.00000
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