Pr3Er6Tm2Sc
Alexandria ALEXAlex-ID: agm004649727 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_178_spg12
Er2Tm Er5Tm Pr Sc
2022-06-29 04:15:20.252419
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004649727).
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 agm004649727
data_agm004649727
_cell_length_a 6.13782
_cell_length_b 6.13782
_cell_length_c 11.68443
_cell_angle_alpha 95.02406
_cell_angle_beta 95.02406
_cell_angle_gamma 119.98233
_cell_volume 375.38900
_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 0.16656 0.83344 0.50000 1.00000
Pr2 Pr 0.83344 0.16656 0.50000 1.00000
Pr3 Pr 0.50000 0.50000 0.50000 1.00000
Er1 Er 0.91997 0.58888 0.75814 1.00000
Er2 Er 0.74900 0.74900 0.24195 1.00000
Er3 Er 0.08003 0.41112 0.24186 1.00000
Er4 Er 0.58888 0.91997 0.75814 1.00000
Er5 Er 0.25100 0.25100 0.75805 1.00000
Er6 Er 0.41112 0.08003 0.24186 1.00000
Tm1 Tm 0.33352 0.66648 0.00000 1.00000
Tm2 Tm 0.66648 0.33352 0.00000 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
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