Sr3Tb(PaP3)2
Alexandria ALEXAlex-ID: agm030562091 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_125_spg2
Tb5PaP6 Sr2PaP3 PaP
2025-01-24 23:05:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm030562091).
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 agm030562091
data_agm030562091
_cell_length_a 9.37461
_cell_length_b 9.37461
_cell_length_c 8.41021
_cell_angle_alpha 75.58025
_cell_angle_beta 104.41975
_cell_angle_gamma 154.38850
_cell_volume 308.90190
_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 0.50000 0.50000 0.50000 1.00000
Sr2 Sr 0.83551 0.16449 0.16743 1.00000
Sr3 Sr 0.16449 0.83551 0.83257 1.00000
Tb1 Tb 0.50000 0.50000 0.00000 1.00000
Pa1 Pa 0.83541 0.16459 0.67110 1.00000
Pa2 Pa 0.16459 0.83541 0.32890 1.00000
P1 P 0.33749 0.66251 0.89319 1.00000
P2 P 0.67589 0.32411 0.56044 1.00000
P3 P 0.66251 0.33749 0.10681 1.00000
P4 P 0.01040 0.98960 0.24074 1.00000
P5 P 0.98960 0.01040 0.75926 1.00000
P6 P 0.32411 0.67589 0.43956 1.00000
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