Pr6RuPt2Br3
Alexandria ALEXAlex-ID: agm040128804 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
Pr6RuPt2Br3
2025-02-04 08:36:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040128804).
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 agm040128804
data_agm040128804
_cell_length_a 7.29704
_cell_length_b 7.29704
_cell_length_c 8.21864
_cell_angle_alpha 81.49381
_cell_angle_beta 98.50619
_cell_angle_gamma 59.99302
_cell_volume 361.99441
_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
Pr1 Pr 0.38754 0.93415 0.19753 1.00000
Pr2 Pr 0.25571 0.74429 0.80217 1.00000
Pr3 Pr 0.61246 0.06585 0.80247 1.00000
Pr4 Pr 0.06585 0.61246 0.19753 1.00000
Pr5 Pr 0.74429 0.25571 0.19783 1.00000
Pr6 Pr 0.93415 0.38754 0.80247 1.00000
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.33323 0.33323 0.00000 1.00000
Pt2 Pt 0.66677 0.66677 0.00000 1.00000
Br1 Br 0.16320 0.16320 0.50000 1.00000
Br2 Br 0.83680 0.83680 0.50000 1.00000
Br3 Br 0.50000 0.50000 0.50000 1.00000
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