BaSr3Pd
Alexandria ALEXAlex-ID: agm003147299 · Space group: P2 (#3)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_1696_spg7
Sr6Pd Sr5Pd2 Ba2SrPd
2016-03-11 05:43:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003147299).
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 agm003147299
data_agm003147299
_cell_length_a 7.62217
_cell_length_b 7.69752
_cell_length_c 8.74272
_cell_angle_alpha 89.97671
_cell_angle_beta 89.96861
_cell_angle_gamma 110.53921
_cell_volume 480.34378
_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 0.44272 0.48799 0.24798 1.00000
Sr2 Sr 0.93693 0.48014 0.00314 1.00000
Sr3 Sr 0.44989 0.48438 0.75288 1.00000
Sr4 Sr 0.92712 0.97875 0.24815 1.00000
Sr5 Sr 0.43226 0.98591 0.00317 1.00000
Sr6 Sr 0.91898 0.98126 0.75297 1.00000
Ba1 Ba 0.43724 0.98193 0.50679 1.00000
Ba2 Ba 0.93263 0.48488 0.50673 1.00000
Pd1 Pd 0.68462 0.73310 0.49413 1.00000
Pd2 Pd 0.68480 0.23319 0.76855 1.00000
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