Ac6PrSm12
Alexandria ALEXAlex-ID: agm006115580 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_40_spg148
PrSm4 Ac Sm
2023-08-26 09:26:40.747216
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006115580).
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 agm006115580
data_agm006115580
_cell_length_a 9.17436
_cell_length_b 9.17436
_cell_length_c 9.17436
_cell_angle_alpha 98.87812
_cell_angle_beta 98.87812
_cell_angle_gamma 98.87812
_cell_volume 741.14408
_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
Ac1 Ac 0.89429 0.33654 0.89429 1.00000
Ac2 Ac 0.89429 0.89429 0.33654 1.00000
Ac3 Ac 0.33654 0.89429 0.89429 1.00000
Ac4 Ac 0.10571 0.10571 0.66346 1.00000
Ac5 Ac 0.10571 0.66346 0.10571 1.00000
Ac6 Ac 0.66346 0.10571 0.10571 1.00000
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Sm1 Sm 0.75172 0.24828 0.50000 1.00000
Sm2 Sm 0.35642 0.07516 0.35642 1.00000
Sm3 Sm 0.35642 0.35642 0.07516 1.00000
Sm4 Sm 0.92484 0.64358 0.64358 1.00000
Sm5 Sm 0.64358 0.64358 0.92484 1.00000
Sm6 Sm 0.64358 0.92484 0.64358 1.00000
Sm7 Sm 0.50000 0.75172 0.24828 1.00000
Sm8 Sm 0.24828 0.50000 0.75172 1.00000
Sm9 Sm 0.24828 0.75172 0.50000 1.00000
Sm10 Sm 0.50000 0.24828 0.75172 1.00000
Sm11 Sm 0.75172 0.50000 0.24828 1.00000
Sm12 Sm 0.07516 0.35642 0.35642 1.00000
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