PrZnH4
Alexandria ALEXAlex-ID: agm005889869 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1563_spg15
PrZn11 ZnH2 PrH3
2023-07-10 00:50:53.258554
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005889869).
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 agm005889869
data_agm005889869
_cell_length_a 4.14176
_cell_length_b 5.48545
_cell_length_c 6.77699
_cell_angle_alpha 111.59493
_cell_angle_beta 104.89214
_cell_angle_gamma 96.89370
_cell_volume 134.34944
_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 0.37558 0.12558 0.75116 1.00000
Pr2 Pr 0.62442 0.87442 0.24884 1.00000
Zn1 Zn 0.12828 0.37828 0.25655 1.00000
Zn2 Zn 0.87172 0.62172 0.74345 1.00000
H1 H 0.24824 0.84447 0.92077 1.00000
H2 H 0.67253 0.57630 0.92077 1.00000
H3 H 0.15472 0.72620 0.37289 1.00000
H4 H 0.84528 0.27380 0.62711 1.00000
H5 H 0.78183 0.85330 0.62710 1.00000
H6 H 0.32747 0.42370 0.07923 1.00000
H7 H 0.21817 0.14670 0.37290 1.00000
H8 H 0.75176 0.15553 0.07923 1.00000
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