Pr4ErTm10
Alexandria ALEXAlex-ID: agm006006567 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C10_59_spg139
ErTm15 ErTm5 Pr
2023-08-08 15:20:18.968924
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006006567).
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 agm006006567
data_agm006006567
_cell_length_a 7.94582
_cell_length_b 8.86379
_cell_length_c 8.86379
_cell_angle_alpha 78.41044
_cell_angle_beta 63.37058
_cell_angle_gamma 63.37059
_cell_volume 498.86074
_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 0.22657 0.99971 0.54714 1.00000
Pr2 Pr 0.77372 0.45286 0.99971 1.00000
Pr3 Pr 0.22628 0.54714 0.00029 1.00000
Pr4 Pr 0.77343 0.00029 0.45286 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.25000 0.50000 0.50000 1.00000
Tm2 Tm 0.70507 0.20787 0.79209 1.00000
Tm3 Tm 0.08706 0.20791 0.20787 1.00000
Tm4 Tm 0.50285 0.79209 0.79213 1.00000
Tm5 Tm 0.70503 0.79213 0.20791 1.00000
Tm6 Tm 0.29493 0.79213 0.20791 1.00000
Tm7 Tm 0.75000 0.50000 0.50000 1.00000
Tm8 Tm 0.29497 0.20787 0.79209 1.00000
Tm9 Tm 0.49715 0.20791 0.20787 1.00000
Tm10 Tm 0.91294 0.79209 0.79213 1.00000
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