Pm2P3Ir4Pt
Alexandria ALEXAlex-ID: agm004518924 · Space group: P-4m2 (#115)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D4_7_spg115
Pm(PIr)2 Pm2P3Ir5 PmPPt3
2022-06-21 19:52:56.797418
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004518924).
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 agm004518924
data_agm004518924
_cell_length_a 4.14234
_cell_length_b 4.14234
_cell_length_c 10.12763
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 173.77984
_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 0.50000 0.00000 0.25299 1.00000
Pm2 Pm 0.00000 0.50000 0.74701 1.00000
P1 P 0.00000 0.00000 0.50000 1.00000
P2 P 0.50000 0.00000 0.86770 1.00000
P3 P 0.00000 0.50000 0.13230 1.00000
Ir1 Ir 0.50000 0.50000 0.00000 1.00000
Ir2 Ir 0.00000 0.00000 0.00000 1.00000
Ir3 Ir 0.50000 0.00000 0.64557 1.00000
Ir4 Ir 0.00000 0.50000 0.35443 1.00000
Pt1 Pt 0.50000 0.50000 0.50000 1.00000
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