PuFe(H4Pt)2
Alexandria ALEXAlex-ID: agm007307937 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_0_spg164
Fe11Pt13 PuH6Pt FeH Pu(H3Pt)4
2024-03-16 03:09:21.122343
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007307937).
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 agm007307937
data_agm007307937
_cell_length_a 4.45343
_cell_length_b 4.66587
_cell_length_c 6.08648
_cell_angle_alpha 92.84649
_cell_angle_beta 96.21612
_cell_angle_gamma 119.34092
_cell_volume 108.82713
_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
Pu1 Pu 0.00000 0.00000 0.50000 1.00000
Fe1 Fe 0.00000 0.00000 0.00000 1.00000
H1 H 0.66784 0.97018 0.79820 1.00000
H2 H 0.11200 0.78480 0.83135 1.00000
H3 H 0.32581 0.25277 0.86488 1.00000
H4 H 0.33216 0.02982 0.20180 1.00000
H5 H 0.88800 0.21520 0.16865 1.00000
H6 H 0.67419 0.74723 0.13512 1.00000
H7 H 0.36617 0.64540 0.46526 1.00000
H8 H 0.63383 0.35460 0.53474 1.00000
Pt1 Pt 0.22654 0.61927 0.19773 1.00000
Pt2 Pt 0.77346 0.38073 0.80227 1.00000
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