Pr3In2H
Alexandria ALEXAlex-ID: agm003418293 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1180_spg15
Pr2InH2 Pr3In PrIn
2022-02-13 08:17:02.750747
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003418293).
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 agm003418293
data_agm003418293
_cell_length_a 6.59335
_cell_length_b 6.75829
_cell_length_c 8.03631
_cell_angle_alpha 98.89483
_cell_angle_beta 114.21882
_cell_angle_gamma 90.00000
_cell_volume 321.85066
_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
Pr1 Pr 0.41854 0.25000 1.00000 1.00000
Pr2 Pr 0.58146 0.75000 0.00000 1.00000
Pr3 Pr 0.02769 0.10351 0.26091 1.00000
Pr4 Pr 0.76677 0.39649 0.73909 1.00000
Pr5 Pr 0.23323 0.60351 0.26091 1.00000
Pr6 Pr 0.97231 0.89649 0.73909 1.00000
In1 In 0.78705 0.55264 0.36049 1.00000
In2 In 0.57345 0.05264 0.36049 1.00000
In3 In 0.42655 0.94736 0.63951 1.00000
In4 In 0.21295 0.44736 0.63951 1.00000
H1 H 0.94341 0.75000 1.00000 1.00000
H2 H 0.05659 0.25000 0.00000 1.00000
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