PrTm2Bi3
Alexandria ALEXAlex-ID: agm038698348 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
TmBi PrBi
2025-04-01 18:11:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm038698348).
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 agm038698348
data_agm038698348
_cell_length_a 14.95080
_cell_length_b 14.25774
_cell_length_c 7.79302
_cell_angle_alpha 79.50227
_cell_angle_beta 69.66589
_cell_angle_gamma 30.83184
_cell_volume 774.65607
_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
Pr1 Pr 0.91696 0.91696 0.08304 1.00000
Pr2 Pr 0.33304 0.33304 0.16696 1.00000
Pr3 Pr 0.16696 0.16696 0.33304 1.00000
Pr4 Pr 0.08304 0.08304 0.91696 1.00000
Tm1 Tm 0.00174 0.00174 0.49826 1.00000
Tm2 Tm 0.41509 0.41509 0.58491 1.00000
Tm3 Tm 0.83491 0.83491 0.66509 1.00000
Tm4 Tm 0.24826 0.24826 0.75174 1.00000
Tm5 Tm 0.75174 0.75174 0.24826 1.00000
Tm6 Tm 0.66509 0.66509 0.83491 1.00000
Tm7 Tm 0.58491 0.58491 0.41509 1.00000
Tm8 Tm 0.49826 0.49826 0.00174 1.00000
Bi1 Bi 0.66943 0.16788 0.82083 1.00000
Bi2 Bi 0.16788 0.66943 0.34186 1.00000
Bi3 Bi 0.58057 0.08212 0.42917 1.00000
Bi4 Bi 0.08212 0.58057 0.90814 1.00000
Bi5 Bi 0.51142 0.98858 0.98858 1.00000
Bi6 Bi 0.98858 0.51142 0.51142 1.00000
Bi7 Bi 0.90814 0.42917 0.08212 1.00000
Bi8 Bi 0.42917 0.90814 0.58057 1.00000
Bi9 Bi 0.34186 0.82083 0.16788 1.00000
Bi10 Bi 0.82083 0.34186 0.66943 1.00000
Bi11 Bi 0.73858 0.26142 0.26142 1.00000
Bi12 Bi 0.26142 0.73858 0.73858 1.00000
