La(PrTm3)2
Alexandria ALEXAlex-ID: agm003486908 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_953_spg15
PrTm2 LaTm2
2022-02-28 08:48:26.997264
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003486908).
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 agm003486908
data_agm003486908
_cell_length_a 6.59314
_cell_length_b 9.54576
_cell_length_c 9.54576
_cell_angle_alpha 95.12337
_cell_angle_beta 81.85495
_cell_angle_gamma 81.85495
_cell_volume 585.03838
_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
La1 La 0.25000 0.12088 0.87912 1.00000
La2 La 0.75000 0.87912 0.12088 1.00000
Pr1 Pr 0.12618 0.61334 0.67149 1.00000
Pr2 Pr 0.37382 0.32851 0.38666 1.00000
Pr3 Pr 0.87382 0.38666 0.32851 1.00000
Pr4 Pr 0.62618 0.67149 0.61334 1.00000
Tm1 Tm 0.49806 0.65704 0.27804 1.00000
Tm2 Tm 0.00194 0.72196 0.34296 1.00000
Tm3 Tm 0.50194 0.34296 0.72196 1.00000
Tm4 Tm 0.99806 0.27804 0.65704 1.00000
Tm5 Tm 0.73824 0.05571 0.46273 1.00000
Tm6 Tm 0.76176 0.53727 0.94429 1.00000
Tm7 Tm 0.26176 0.94429 0.53727 1.00000
Tm8 Tm 0.23824 0.46273 0.05571 1.00000
Tm9 Tm 0.31878 0.77969 0.95367 1.00000
Tm10 Tm 0.18122 0.04633 0.22031 1.00000
Tm11 Tm 0.68122 0.22031 0.04633 1.00000
Tm12 Tm 0.81878 0.95367 0.77969 1.00000
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