PrSb(H3Pd)2
Alexandria ALEXAlex-ID: agm008014357 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_755_spg15
Sb8Pd11 SbH3 PrH4Pd H2
2025-05-27 19:59:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008014357).
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 agm008014357
data_agm008014357
_cell_length_a 4.57184
_cell_length_b 7.24550
_cell_length_c 7.25152
_cell_angle_alpha 107.88474
_cell_angle_beta 95.02784
_cell_angle_gamma 95.03251
_cell_volume 226.04999
_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 0.24964 0.82683 0.17273 1.00000
Pr2 Pr 0.75036 0.17317 0.82727 1.00000
Sb1 Sb 0.25020 0.39068 0.60958 1.00000
Sb2 Sb 0.74980 0.60932 0.39042 1.00000
H1 H 0.20138 0.05871 0.67663 1.00000
H2 H 0.29932 0.32310 0.94169 1.00000
H3 H 0.79862 0.94129 0.32337 1.00000
H4 H 0.70068 0.67690 0.05831 1.00000
H5 H 0.99113 0.86644 0.85970 1.00000
H6 H 0.50906 0.13987 0.13419 1.00000
H7 H 0.00887 0.13356 0.14030 1.00000
H8 H 0.49094 0.86013 0.86581 1.00000
H9 H 0.43634 0.81679 0.48870 1.00000
H10 H 0.06257 0.51037 0.18265 1.00000
H11 H 0.56366 0.18321 0.51130 1.00000
H12 H 0.93743 0.48963 0.81735 1.00000
Pd1 Pd 0.70771 0.66615 0.82445 1.00000
Pd2 Pd 0.79253 0.17548 0.33448 1.00000
Pd3 Pd 0.29229 0.33385 0.17555 1.00000
Pd4 Pd 0.20747 0.82452 0.66552 1.00000
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