Pr4HOs
Alexandria ALEXAlex-ID: agm007355499 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_19_spg141
Pr3Os PrH2 Pr
2024-03-06 03:33:22.082277
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007355499).
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 agm007355499
data_agm007355499
_cell_length_a 7.68924
_cell_length_b 7.68924
_cell_length_c 7.68924
_cell_angle_alpha 107.97402
_cell_angle_beta 107.97402
_cell_angle_gamma 112.50900
_cell_volume 349.22631
_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 0.92238 0.22299 0.30061 1.00000
Pr2 Pr 0.92238 0.62177 0.69939 1.00000
Pr3 Pr 0.47299 0.67238 0.80061 1.00000
Pr4 Pr 0.32762 0.52701 0.19939 1.00000
Pr5 Pr 0.87177 0.67238 0.19939 1.00000
Pr6 Pr 0.77701 0.07762 0.69939 1.00000
Pr7 Pr 0.32762 0.12823 0.80061 1.00000
Pr8 Pr 0.37823 0.07762 0.30061 1.00000
H1 H 0.75000 0.25000 0.50000 1.00000
H2 H 0.50000 0.50000 0.00000 1.00000
Os1 Os 0.00000 0.00000 0.00000 1.00000
Os2 Os 0.25000 0.75000 0.50000 1.00000
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