PrDy2Tm5Sc
Alexandria ALEXAlex-ID: agm005162292 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_204_spg36
PrDy5 DyTm5 Pr Sc
2023-01-19 13:54:09.194302
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005162292).
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 agm005162292
data_agm005162292
_cell_length_a 5.52666
_cell_length_b 10.16713
_cell_length_c 10.30190
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.77086
_cell_volume 557.07611
_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 0.58609 0.17218 0.95261 1.00000
Pr2 Pr 0.41391 0.82782 0.45261 1.00000
Dy1 Dy 0.88882 0.77765 0.81516 1.00000
Dy2 Dy 0.11403 0.22806 0.73348 1.00000
Dy3 Dy 0.11118 0.22235 0.31516 1.00000
Dy4 Dy 0.88597 0.77194 0.23348 1.00000
Tm1 Tm 0.37705 0.75409 0.02016 1.00000
Tm2 Tm 0.72344 0.44687 0.82258 1.00000
Tm3 Tm 0.48022 0.96044 0.73772 1.00000
Tm4 Tm 0.29777 0.59553 0.70670 1.00000
Tm5 Tm 0.98157 0.96313 0.52140 1.00000
Tm6 Tm 0.62295 0.24591 0.52016 1.00000
Tm7 Tm 0.27656 0.55313 0.32258 1.00000
Tm8 Tm 0.51978 0.03956 0.23772 1.00000
Tm9 Tm 0.70223 0.40447 0.20670 1.00000
Tm10 Tm 0.01843 0.03687 0.02140 1.00000
Sc1 Sc 0.80288 0.60576 0.51415 1.00000
Sc2 Sc 0.19712 0.39424 0.01415 1.00000
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