Ca2TbPr2
Alexandria ALEXAlex-ID: agm005848754 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_458_spg164
Tb5Pr3 Ca Pr
2023-08-03 10:51:16.670099
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005848754).
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 agm005848754
data_agm005848754
_cell_length_a 3.71389
_cell_length_b 3.71389
_cell_length_c 15.55849
_cell_angle_alpha 90.02145
_cell_angle_beta 90.02146
_cell_angle_gamma 59.99923
_cell_volume 185.84608
_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 0.33343 0.33343 0.60588 1.00000
Ca2 Ca 0.66657 0.66657 0.39412 1.00000
Tb1 Tb 0.00000 0.00000 0.00000 1.00000
Pr1 Pr 0.33399 0.33399 0.18566 1.00000
Pr2 Pr 0.66601 0.66601 0.81434 1.00000
