Pr2Tm8Sc3
Alexandria ALEXAlex-ID: agm005606381 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_364_spg2
PrTm15 PrTm2 Sc
2023-06-16 08:48:01.227691
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005606381).
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
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# CIF generated by HEAS from Alexandria entry agm005606381
data_agm005606381
_cell_length_a 6.03194
_cell_length_b 6.01008
_cell_length_c 10.96280
_cell_angle_alpha 79.48736
_cell_angle_beta 89.99936
_cell_angle_gamma 99.63802
_cell_volume 385.05036
_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 0.76946 0.61677 0.53925 1.00000
Pr2 Pr 0.23054 0.38323 0.46075 1.00000
Tm1 Tm 0.08188 0.45957 0.14668 1.00000
Tm2 Tm 0.91812 0.54043 0.85332 1.00000
Tm3 Tm 0.16024 0.92460 0.29760 1.00000
Tm4 Tm 0.83976 0.07540 0.70240 1.00000
Tm5 Tm 0.30785 0.84636 0.62352 1.00000
Tm6 Tm 0.37837 0.30671 0.78053 1.00000
Tm7 Tm 0.62163 0.69329 0.21947 1.00000
Tm8 Tm 0.69215 0.15364 0.37648 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Sc2 Sc 0.53850 0.22716 0.07285 1.00000
Sc3 Sc 0.46150 0.77284 0.92715 1.00000
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