PrZn(CrH4)2
Alexandria ALEXAlex-ID: agm007468079 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_303_spg148
ZnH2 PrH3 H2 CrH
2024-03-21 09:15:33.027192
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007468079).
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 agm007468079
data_agm007468079
_cell_length_a 4.46240
_cell_length_b 4.46942
_cell_length_c 6.49852
_cell_angle_alpha 69.90301
_cell_angle_beta 69.59860
_cell_angle_gamma 59.93914
_cell_volume 102.83262
_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 0.50021 0.53116 0.50000 1.00000
Zn1 Zn 0.99995 0.02427 0.00139 1.00000
Cr1 Cr 0.29325 0.33545 0.13656 1.00000
Cr2 Cr 0.70757 0.76559 0.86332 1.00000
H1 H 0.47231 0.95010 0.66710 1.00000
H2 H 0.60054 0.49136 0.11060 1.00000
H3 H 0.52800 0.08897 0.33300 1.00000
H4 H 0.39802 0.20359 0.88882 1.00000
H5 H 0.06458 0.10245 0.29698 1.00000
H6 H 0.94194 0.96857 0.66398 1.00000
H7 H 0.05850 0.57400 0.33562 1.00000
H8 H 0.93513 0.46449 0.70264 1.00000
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