PrEr7Mg4
Alexandria ALEXAlex-ID: agm003668847 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_85_spg12
Er2Mg Pr2ErMg3 Er
2022-04-27 11:56:14.800769
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003668847).
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 agm003668847
data_agm003668847
_cell_length_a 5.70037
_cell_length_b 9.86875
_cell_length_c 7.30733
_cell_angle_alpha 80.84590
_cell_angle_beta 67.04270
_cell_angle_gamma 73.21332
_cell_volume 361.88557
_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 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.77980 0.88145 0.55894 1.00000
Er2 Er 0.22020 0.11855 0.44106 1.00000
Er3 Er 0.05613 0.61530 0.27244 1.00000
Er4 Er 0.94387 0.38470 0.72756 1.00000
Er5 Er 0.32963 0.60793 0.73282 1.00000
Er6 Er 0.50000 0.00000 0.00000 1.00000
Er7 Er 0.67037 0.39207 0.26718 1.00000
Mg1 Mg 0.56580 0.21634 0.65205 1.00000
Mg2 Mg 0.43420 0.78366 0.34795 1.00000
Mg3 Mg 0.68807 0.66631 0.95755 1.00000
Mg4 Mg 0.31193 0.33369 0.04245 1.00000
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