SrPrB8
Alexandria ALEXAlex-ID: agm024359694 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC8_15_spg65
PrB4 Sr SrB6
2024-09-13 11:16:46.950402
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024359694).
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 agm024359694
data_agm024359694
_cell_length_a 7.29739
_cell_length_b 7.29739
_cell_length_c 4.17594
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.30659
_cell_volume 222.37361
_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 0.68301 0.68301 0.00000 1.00000
Sr2 Sr 0.31699 0.31699 0.00000 1.00000
Pr1 Pr 0.81671 0.18329 0.00000 1.00000
Pr2 Pr 0.18329 0.81671 0.00000 1.00000
B1 B 0.50000 0.00000 0.79427 1.00000
B2 B 0.00000 0.50000 0.79427 1.00000
B3 B 0.50000 0.00000 0.20573 1.00000
B4 B 0.00000 0.50000 0.20573 1.00000
B5 B 0.46194 0.82621 0.50000 1.00000
B6 B 0.53806 0.17379 0.50000 1.00000
B7 B 0.03782 0.32744 0.50000 1.00000
B8 B 0.96218 0.67256 0.50000 1.00000
B9 B 0.32744 0.03782 0.50000 1.00000
B10 B 0.67256 0.96218 0.50000 1.00000
B11 B 0.82621 0.46194 0.50000 1.00000
B12 B 0.17379 0.53806 0.50000 1.00000
B13 B 0.91279 0.91279 0.50000 1.00000
B14 B 0.08721 0.08721 0.50000 1.00000
B15 B 0.58818 0.41182 0.50000 1.00000
B16 B 0.41182 0.58818 0.50000 1.00000
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