Ca2Tb5Pr4
Alexandria ALEXAlex-ID: agm005668210 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_657_spg2
Tb5Pr3 Ca Pr
2023-06-21 12:20:16.259357
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005668210).
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 agm005668210
data_agm005668210
_cell_length_a 6.37405
_cell_length_b 9.68919
_cell_length_c 11.62401
_cell_angle_alpha 126.81996
_cell_angle_beta 137.12136
_cell_angle_gamma 70.61827
_cell_volume 383.38285
_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
Ca1 Ca 0.95030 0.27036 0.31567 1.00000
Ca2 Ca 0.04970 0.72964 0.68433 1.00000
Tb1 Tb 0.12993 0.18589 0.04562 1.00000
Tb2 Tb 0.87007 0.81411 0.95438 1.00000
Tb3 Tb 0.50000 0.00000 0.50000 1.00000
Tb4 Tb 0.23086 0.63844 0.40546 1.00000
Tb5 Tb 0.76914 0.36156 0.59454 1.00000
Pr1 Pr 0.60838 0.45181 0.87365 1.00000
Pr2 Pr 0.39162 0.54819 0.12635 1.00000
Pr3 Pr 0.68764 0.90910 0.23680 1.00000
Pr4 Pr 0.31236 0.09090 0.76320 1.00000
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