Sr2AlHPb
Alexandria ALEXAlex-ID: agm007487579 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_124_spg11
Sr5HPb3 Sr2H2Pb SrAl4 SrPb
2024-03-16 07:12:11.844352
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007487579).
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
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# CIF generated by HEAS from Alexandria entry agm007487579
data_agm007487579
_cell_length_a 4.52983
_cell_length_b 6.57225
_cell_length_c 9.62627
_cell_angle_alpha 75.44737
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 277.39128
_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 0.28909 0.93344 1.00000
Sr2 Sr 0.75000 0.77963 0.43005 1.00000
Sr3 Sr 0.25000 0.71091 0.06656 1.00000
Sr4 Sr 0.25000 0.22037 0.56995 1.00000
Al1 Al 0.25000 0.61640 0.72931 1.00000
Al2 Al 0.75000 0.38360 0.27069 1.00000
H1 H 0.25000 0.62741 0.54232 1.00000
H2 H 0.75000 0.37259 0.45768 1.00000
Pb1 Pb 0.25000 0.13869 0.22448 1.00000
Pb2 Pb 0.75000 0.86131 0.77552 1.00000
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