Sr5Tb12Pu
Alexandria ALEXAlex-ID: agm013023331 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C12_73_spg8
Sr Tb Pu
2024-07-13 20:19:26.717397
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013023331).
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 agm013023331
data_agm013023331
_cell_length_a 10.60179
_cell_length_b 10.60179
_cell_length_c 6.41472
_cell_angle_alpha 83.93151
_cell_angle_beta 83.93151
_cell_angle_gamma 64.75956
_cell_volume 647.03489
_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
Sr1 Sr 0.50057 0.50057 0.59230 1.00000
Sr2 Sr 0.83642 0.83642 0.48830 1.00000
Sr3 Sr 0.16243 0.16243 0.38423 1.00000
Sr4 Sr 0.33846 0.33846 0.01093 1.00000
Sr5 Sr 0.66299 0.66299 0.90216 1.00000
Tb1 Tb 0.83553 0.16337 0.62280 1.00000
Tb2 Tb 0.16337 0.83553 0.62280 1.00000
Tb3 Tb 0.70075 0.30085 0.12196 1.00000
Tb4 Tb 0.30085 0.70075 0.12196 1.00000
Tb5 Tb 0.00522 0.66701 0.00271 1.00000
Tb6 Tb 0.66701 0.00522 0.00271 1.00000
Tb7 Tb 0.33102 0.99636 0.88210 1.00000
Tb8 Tb 0.99636 0.33102 0.88210 1.00000
Tb9 Tb 0.84341 0.49055 0.38519 1.00000
Tb10 Tb 0.50880 0.15516 0.50789 1.00000
Tb11 Tb 0.49055 0.84341 0.38519 1.00000
Tb12 Tb 0.15516 0.50880 0.50789 1.00000
Pu1 Pu 0.00069 0.00069 0.07688 1.00000
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