Sr2PHPd
Alexandria ALEXAlex-ID: agm005002012 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_1539_spg11
SrPPd SrPd2 Sr2PH SrH2
2022-07-04 08:25:13.308561
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005002012).
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 agm005002012
data_agm005002012
_cell_length_a 4.32826
_cell_length_b 6.49064
_cell_length_c 8.40055
_cell_angle_alpha 108.50723
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 223.79298
_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
Sr1 Sr 0.75000 0.78108 0.58192 1.00000
Sr2 Sr 0.75000 0.74906 0.04762 1.00000
Sr3 Sr 0.25000 0.21892 0.41808 1.00000
Sr4 Sr 0.25000 0.25094 0.95238 1.00000
P1 P 0.25000 0.65903 0.29311 1.00000
P2 P 0.75000 0.34097 0.70689 1.00000
H1 H 0.25000 0.85322 0.84401 1.00000
H2 H 0.75000 0.14678 0.15599 1.00000
Pd1 Pd 0.25000 0.57517 0.76307 1.00000
Pd2 Pd 0.75000 0.42483 0.23693 1.00000
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