Pa3In3Fe2
Alexandria ALEXAlex-ID: agm002336635 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_13_spg12
Pa7In PaIn3 Pa2InFe2
2019-02-06 07:33:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002336635).
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 agm002336635
data_agm002336635
_cell_length_a 4.79405
_cell_length_b 4.73222
_cell_length_c 9.07576
_cell_angle_alpha 116.76229
_cell_angle_beta 105.38416
_cell_angle_gamma 90.02635
_cell_volume 175.52673
_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
Pa1 Pa 0.82978 0.25273 0.66078 1.00000
Pa2 Pa 0.17022 0.74728 0.33922 1.00000
Pa3 Pa 1.00000 0.99999 0.99999 1.00000
Fe1 Fe 0.79464 0.74689 0.59117 1.00000
Fe2 Fe 0.20537 0.25311 0.40884 1.00000
In1 In 0.36343 0.78134 0.72807 1.00000
In2 In 0.50000 0.49999 0.99999 1.00000
In3 In 0.63658 0.21865 0.27194 1.00000
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