TbPm5P6
Alexandria ALEXAlex-ID: agm006129149 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_83_spg12
PmP TbP
2023-09-03 15:02:13.645307
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006129149).
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 agm006129149
data_agm006129149
_cell_length_a 7.12889
_cell_length_b 7.12927
_cell_length_c 7.12790
_cell_angle_alpha 59.99365
_cell_angle_beta 80.39148
_cell_angle_gamma 70.50243
_cell_volume 295.72248
_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
P1 P 0.75223 0.08252 0.33012 1.00000
P2 P 0.24777 0.58736 0.33012 1.00000
P3 P 0.24812 0.24730 1.00000 1.00000
P4 P 0.75188 0.75270 0.00000 1.00000
P5 P 0.75223 0.41264 0.66988 1.00000
P6 P 0.24777 0.91748 0.66988 1.00000
Tb1 Tb 0.00000 0.00000 0.00000 1.00000
Pm1 Pm 0.50000 0.16720 0.66561 1.00000
Pm2 Pm 0.00000 0.33352 0.33296 1.00000
Pm3 Pm 0.50000 0.50000 0.00000 1.00000
Pm4 Pm 1.00000 0.66648 0.66704 1.00000
Pm5 Pm 0.50000 0.83280 0.33439 1.00000
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