Pr4Ni2H
Alexandria ALEXAlex-ID: agm005996085 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_902_spg12
Pr3Ni PrNi PrH2
2023-07-10 12:54:57.816171
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005996085).
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 agm005996085
data_agm005996085
_cell_length_a 3.98729
_cell_length_b 6.06638
_cell_length_c 7.25120
_cell_angle_alpha 99.96164
_cell_angle_beta 105.95842
_cell_angle_gamma 90.00001
_cell_volume 165.88343
_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 0.15430 0.81044 0.30860 1.00000
Pr2 Pr 0.84570 0.18956 0.69140 1.00000
Pr3 Pr 0.41800 0.72345 0.83601 1.00000
Pr4 Pr 0.58200 0.27655 0.16399 1.00000
Ni1 Ni 0.23395 0.37028 0.46789 1.00000
Ni2 Ni 0.76605 0.62972 0.53211 1.00000
H1 H 0.00000 0.00000 0.00000 1.00000
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