Pr3Y6Mg
Alexandria ALEXAlex-ID: agm005993852 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_281_spg11
PrYMg2 Y2Mg PrY2
2023-09-17 19:44:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005993852).
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 agm005993852
data_agm005993852
_cell_length_a 5.15028
_cell_length_b 11.15047
_cell_length_c 11.40527
_cell_angle_alpha 91.66819
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 654.70505
_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 0.25000 0.55180 0.40223 1.00000
Pr2 Pr 0.75000 0.44820 0.59777 1.00000
Pr3 Pr 0.25000 0.34496 0.79287 1.00000
Pr4 Pr 0.75000 0.65504 0.20713 1.00000
Pr5 Pr 0.25000 0.75383 0.00807 1.00000
Pr6 Pr 0.75000 0.24617 0.99193 1.00000
Y1 Y 0.25000 0.44772 0.10165 1.00000
Y2 Y 0.75000 0.55228 0.89835 1.00000
Y3 Y 0.25000 0.15161 0.18967 1.00000
Y4 Y 0.75000 0.84839 0.81033 1.00000
Y5 Y 0.25000 0.65753 0.70153 1.00000
Y6 Y 0.75000 0.34247 0.29847 1.00000
Y7 Y 0.25000 0.23462 0.49360 1.00000
Y8 Y 0.75000 0.76538 0.50640 1.00000
Y9 Y 0.25000 0.86290 0.31387 1.00000
Y10 Y 0.75000 0.13710 0.68613 1.00000
Y11 Y 0.25000 0.04583 0.89430 1.00000
Y12 Y 0.75000 0.95417 0.10570 1.00000
Mg1 Mg 0.25000 0.94652 0.60684 1.00000
Mg2 Mg 0.75000 0.05348 0.39316 1.00000
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