Tb3(PmP2)2
Alexandria ALEXAlex-ID: agm005690074 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_761_spg12
Pm6P5 Pm TbP
2023-06-27 23:03:42.268980
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690074).
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 agm005690074
data_agm005690074
_cell_length_a 4.03099
_cell_length_b 6.97306
_cell_length_c 9.06877
_cell_angle_alpha 74.81749
_cell_angle_beta 77.15903
_cell_angle_gamma 73.19949
_cell_volume 232.52855
_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 0.00000 0.00000 0.00000 1.00000
Tb2 Tb 0.20453 0.40101 0.18993 1.00000
Tb3 Tb 0.79547 0.59899 0.81007 1.00000
Pm1 Pm 0.60160 0.19155 0.60525 1.00000
Pm2 Pm 0.39840 0.80845 0.39475 1.00000
P1 P 0.79849 0.10373 0.29929 1.00000
P2 P 0.20151 0.89627 0.70071 1.00000
P3 P 0.39887 0.30174 0.90051 1.00000
P4 P 0.60113 0.69826 0.09949 1.00000
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