Tb4Pr7Sc
Alexandria ALEXAlex-ID: agm003668037 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_93_spg12
Tb5Pr3 Pr Sc
2022-04-20 14:39:35.520271
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003668037).
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 agm003668037
data_agm003668037
_cell_length_a 5.97840
_cell_length_b 9.83328
_cell_length_c 8.71311
_cell_angle_alpha 60.97952
_cell_angle_beta 69.93602
_cell_angle_gamma 72.30272
_cell_volume 414.78362
_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
Tb1 Tb 0.57393 0.30417 0.54797 1.00000
Tb2 Tb 0.42607 0.69583 0.45203 1.00000
Tb3 Tb 0.67477 0.60186 0.04860 1.00000
Tb4 Tb 0.32523 0.39814 0.95140 1.00000
Pr1 Pr 0.79352 0.87276 0.54021 1.00000
Pr2 Pr 0.20648 0.12724 0.45979 1.00000
Pr3 Pr 0.07932 0.56767 0.27370 1.00000
Pr4 Pr 0.92068 0.43233 0.72630 1.00000
Pr5 Pr 0.20206 0.78231 0.81357 1.00000
Pr6 Pr 0.50000 0.00000 0.00000 1.00000
Pr7 Pr 0.79794 0.21769 0.18643 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
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