Pr7Er2
Alexandria ALEXAlex-ID: agm009908409 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B7_176_spg12
Pr2Er7 Pr
2024-05-15 11:55:28.406710
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009908409).
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 agm009908409
data_agm009908409
_cell_length_a 6.32922
_cell_length_b 6.32922
_cell_length_c 15.14663
_cell_angle_alpha 69.59316
_cell_angle_beta 69.59316
_cell_angle_gamma 33.71789
_cell_volume 313.66363
_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 0.32930 0.32930 0.67210 1.00000
Pr2 Pr 0.67070 0.67070 0.32790 1.00000
Pr3 Pr 0.88953 0.88953 0.44421 1.00000
Pr4 Pr 0.11047 0.11047 0.55579 1.00000
Pr5 Pr 0.44992 0.44992 0.21875 1.00000
Pr6 Pr 0.55008 0.55008 0.78125 1.00000
Pr7 Pr 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.77495 0.77495 0.89347 1.00000
Er2 Er 0.22505 0.22505 0.10653 1.00000
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