PrSc(CuH4)2
Alexandria ALEXAlex-ID: agm007387007 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1162_spg12
PrH3 ScH3 Cu CuH4
2024-02-09 04:00:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007387007).
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 agm007387007
data_agm007387007
_cell_length_a 4.59802
_cell_length_b 4.60415
_cell_length_c 6.31037
_cell_angle_alpha 91.62290
_cell_angle_beta 110.91966
_cell_angle_gamma 117.91528
_cell_volume 107.12749
_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 0.00000 0.00000 0.00000 1.00000
Sc1 Sc 0.00000 0.50000 0.50000 1.00000
Cu1 Cu 0.45979 0.22008 0.68080 1.00000
Cu2 Cu 0.54021 0.77992 0.31920 1.00000
H1 H 0.23736 0.18342 0.41251 1.00000
H2 H 0.36100 0.89800 0.79904 1.00000
H3 H 0.76264 0.81658 0.58749 1.00000
H4 H 0.35118 0.44562 0.80252 1.00000
H5 H 0.64882 0.55438 0.19748 1.00000
H6 H 0.89926 0.43538 0.79928 1.00000
H7 H 0.10074 0.56462 0.20072 1.00000
H8 H 0.63900 0.10200 0.20096 1.00000
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