Pr2ZnCuH6
Alexandria ALEXAlex-ID: agm007410693 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_392_spg2
Zn8Cu5 PrH3 Cu
2024-02-09 07:01:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007410693).
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 agm007410693
data_agm007410693
_cell_length_a 5.75611
_cell_length_b 5.75459
_cell_length_c 5.01543
_cell_angle_alpha 64.18454
_cell_angle_beta 64.15331
_cell_angle_gamma 51.66215
_cell_volume 114.02187
_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 0.80168 0.80168 0.69832 1.00000
Pr2 Pr 0.30168 0.30168 0.19832 1.00000
Zn1 Zn 0.02164 0.02164 0.97836 1.00000
Cu1 Cu 0.53298 0.53298 0.46702 1.00000
H1 H 0.24084 0.71444 0.75916 1.00000
H2 H 0.71428 0.71428 0.28572 1.00000
H3 H 0.71444 0.24084 0.28556 1.00000
H4 H 0.24117 0.71501 0.28499 1.00000
H5 H 0.21047 0.21047 0.78953 1.00000
H6 H 0.71501 0.24117 0.75883 1.00000
Get direct link