Pr2Y6Mg
Alexandria ALEXAlex-ID: agm005691190 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2022_spg12
Y2Mg PrY2
2023-07-08 18:06:23.768924
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005691190).
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 agm005691190
data_agm005691190
_cell_length_a 7.21319
_cell_length_b 8.47654
_cell_length_c 14.60642
_cell_angle_alpha 138.04058
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 597.11682
_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 0.49998 0.19245 0.23282 1.00000
Pr2 Pr 0.99998 0.30755 0.26718 1.00000
Pr3 Pr 0.00002 0.69245 0.73282 1.00000
Pr4 Pr 0.50002 0.80755 0.76718 1.00000
Y1 Y 0.00000 0.24774 0.82091 1.00000
Y2 Y 0.25945 0.24961 0.45895 1.00000
Y3 Y 0.24055 0.25037 0.04104 1.00000
Y4 Y 0.74055 0.24963 0.45896 1.00000
Y5 Y 0.75945 0.25039 0.04104 1.00000
Y6 Y 0.50000 0.25226 0.67909 1.00000
Y7 Y 1.00000 0.75226 0.17909 1.00000
Y8 Y 0.74055 0.75039 0.54105 1.00000
Y9 Y 0.75945 0.74963 0.95896 1.00000
Y10 Y 0.25945 0.75037 0.54104 1.00000
Y11 Y 0.24055 0.74961 0.95896 1.00000
Y12 Y 0.50000 0.74774 0.32091 1.00000
Mg1 Mg 0.50000 0.50000 0.00000 1.00000
Mg2 Mg 0.00000 0.00000 0.50000 1.00000
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