CaPr3Dy8
Alexandria ALEXAlex-ID: agm006012965 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_185_spg121
PrDy5 Ca Pr
2023-09-07 19:43:59.182868
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006012965).
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 agm006012965
data_agm006012965
_cell_length_a 8.56113
_cell_length_b 8.56114
_cell_length_c 8.56112
_cell_angle_alpha 92.82478
_cell_angle_beta 118.38265
_cell_angle_gamma 118.38282
_cell_volume 453.93785
_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
Ca1 Ca 0.00000 0.00000 1.00000 1.00000
Pr1 Pr 0.50000 0.75000 0.25000 1.00000
Pr2 Pr 0.50000 0.25000 0.75000 1.00000
Pr3 Pr 0.00000 0.50000 0.50000 1.00000
Dy1 Dy 0.53350 0.30685 0.30685 1.00000
Dy2 Dy 0.46650 0.77336 0.77336 1.00000
Dy3 Dy 0.00000 0.69315 0.22664 1.00000
Dy4 Dy 1.00000 0.22664 0.69315 1.00000
Dy5 Dy 0.26895 0.40684 0.40684 1.00000
Dy6 Dy 0.73105 0.13789 0.13789 1.00000
Dy7 Dy 1.00000 0.59316 0.86211 1.00000
Dy8 Dy 0.00000 0.86211 0.59316 1.00000
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