Fe3H2Pt3
Alexandria ALEXAlex-ID: agm007259699 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_318_spg2
H10Pt Fe11Pt13 FeH
2024-03-05 07:05:55.768209
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007259699).
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
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# CIF generated by HEAS from Alexandria entry agm007259699
data_agm007259699
_cell_length_a 3.92039
_cell_length_b 4.77226
_cell_length_c 5.53410
_cell_angle_alpha 73.52077
_cell_angle_beta 89.69738
_cell_angle_gamma 66.14195
_cell_volume 90.09112
_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
Fe1 Fe 0.78233 0.40101 0.39333 1.00000
Fe2 Fe 0.45280 0.08537 0.72107 1.00000
Fe3 Fe 0.11382 0.71662 0.09143 1.00000
H1 H 0.90051 0.11993 0.71544 1.00000
H2 H 0.38535 0.72187 0.82628 1.00000
Pt1 Pt 0.81432 0.37830 0.91627 1.00000
Pt2 Pt 0.45918 0.05676 0.23845 1.00000
Pt3 Pt 0.11418 0.72459 0.55906 1.00000
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