Pr2Sm4Tm7
Alexandria ALEXAlex-ID: agm005641282 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C7_85_spg2
Sm2Tm7 PrSm4 Pr
2023-06-15 09:30:13.934081
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005641282).
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 agm005641282
data_agm005641282
_cell_length_a 6.17181
_cell_length_b 7.97796
_cell_length_c 9.41784
_cell_angle_alpha 114.92142
_cell_angle_beta 90.01798
_cell_angle_gamma 82.41331
_cell_volume 416.07004
_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 0.76975 0.38308 0.92398 1.00000
Pr2 Pr 0.23025 0.61692 0.07602 1.00000
Sm1 Sm 0.30684 0.14961 0.76674 1.00000
Sm2 Sm 0.69315 0.85039 0.23326 1.00000
Sm3 Sm 0.61437 0.30800 0.53770 1.00000
Sm4 Sm 0.38563 0.69200 0.46230 1.00000
Tm1 Tm 0.54014 0.77104 0.84537 1.00000
Tm2 Tm 0.45986 0.22896 0.15463 1.00000
Tm3 Tm 0.00000 0.00000 0.00000 1.00000
Tm4 Tm 0.84738 0.91977 0.61583 1.00000
Tm5 Tm 0.15262 0.08023 0.38418 1.00000
Tm6 Tm 0.92268 0.45861 0.30917 1.00000
Tm7 Tm 0.07732 0.54139 0.69083 1.00000
Get direct link