Pr3Mg7Au4
Alexandria ALEXAlex-ID: agm005702269 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_55_spg12
PrMg2Au PrMgAu Pr2Mg12Au7
2023-06-29 16:58:13.638962
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005702269).
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 agm005702269
data_agm005702269
_cell_length_a 4.51616
_cell_length_b 8.69367
_cell_length_c 9.31650
_cell_angle_alpha 71.10375
_cell_angle_beta 75.97327
_cell_angle_gamma 74.94544
_cell_volume 329.14208
_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 0.30694 0.18216 0.20396 1.00000
Pr2 Pr 0.69306 0.81784 0.79604 1.00000
Pr3 Pr 0.00000 0.50000 0.50000 1.00000
Mg1 Mg 0.32029 0.84225 0.51716 1.00000
Mg2 Mg 0.48931 0.22306 0.79832 1.00000
Mg3 Mg 0.83569 0.39956 0.92905 1.00000
Mg4 Mg 0.67971 0.15775 0.48284 1.00000
Mg5 Mg 0.16431 0.60044 0.07095 1.00000
Mg6 Mg 0.00000 0.00000 0.00000 1.00000
Mg7 Mg 0.51069 0.77694 0.20168 1.00000
Au1 Au 0.66148 0.44256 0.23447 1.00000
Au2 Au 0.33852 0.55744 0.76553 1.00000
Au3 Au 0.88541 0.89964 0.32953 1.00000
Au4 Au 0.11459 0.10036 0.67047 1.00000
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