SrHf2Pb2O7
Alexandria ALEXAlex-ID: agm031867436 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_431_spg12
SrHfO3 HfO2 PbO
2024-12-09 06:27:15.506664
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm031867436).
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 agm031867436
data_agm031867436
_cell_length_a 4.15647
_cell_length_b 4.15647
_cell_length_c 10.94503
_cell_angle_alpha 80.90555
_cell_angle_beta 99.09445
_cell_angle_gamma 90.73506
_cell_volume 184.35018
_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 0.00000 0.00000 0.50000 1.00000
Hf1 Hf 0.41638 0.58362 0.30726 1.00000
Hf2 Hf 0.58362 0.41638 0.69274 1.00000
Pb1 Pb 0.22192 0.77808 0.88025 1.00000
Pb2 Pb 0.77808 0.22192 0.11975 1.00000
O1 O 0.50000 0.50000 0.50000 1.00000
O2 O 0.62241 0.37759 0.89092 1.00000
O3 O 0.37759 0.62241 0.10908 1.00000
O4 O 0.07177 0.44578 0.68728 1.00000
O5 O 0.55422 0.92823 0.68728 1.00000
O6 O 0.44578 0.07177 0.31272 1.00000
O7 O 0.92823 0.55422 0.31272 1.00000
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