Tb4PuP5
Alexandria ALEXAlex-ID: agm006106955 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_149_spg79
TbPuP2 TbP
2023-10-17 21:01:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006106955).
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
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# CIF generated by HEAS from Alexandria entry agm006106955
data_agm006106955
_cell_length_a 5.67851
_cell_length_b 6.96087
_cell_length_c 6.96087
_cell_angle_alpha 80.42300
_cell_angle_beta 65.92777
_cell_angle_gamma 65.92776
_cell_volume 229.36816
_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 0.40148 0.40053 0.79850 1.00000
Tb2 Tb 0.80201 0.79850 0.59947 1.00000
Tb3 Tb 0.19998 0.20150 0.40053 1.00000
Tb4 Tb 0.60051 0.59947 0.20150 1.00000
Pu1 Pu 0.00110 0.00000 0.00000 1.00000
P1 P 0.90291 0.39454 0.80165 1.00000
P2 P 0.29744 0.80165 0.60546 1.00000
P3 P 0.70456 0.19835 0.39454 1.00000
P4 P 0.09910 0.60546 0.19835 1.00000
P5 P 0.50120 0.00000 0.00000 1.00000
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