HfSc(PaTc2)2
Alexandria ALEXAlex-ID: agm026299079 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_43_spg5
Hf3PaTc4 Sc2PaTc3 PaTc
2024-12-09 15:36:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm026299079).
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 agm026299079
data_agm026299079
_cell_length_a 8.35881
_cell_length_b 8.35881
_cell_length_c 8.35881
_cell_angle_alpha 32.58066
_cell_angle_beta 32.58066
_cell_angle_gamma 32.58066
_cell_volume 150.60442
_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
Hf1 Hf 0.50000 0.50000 0.50000 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Pa1 Pa 0.25131 0.25131 0.25131 1.00000
Pa2 Pa 0.74869 0.74869 0.74869 1.00000
Tc1 Tc 0.61946 0.61946 0.61946 1.00000
Tc2 Tc 0.12742 0.12742 0.12742 1.00000
Tc3 Tc 0.87258 0.87258 0.87258 1.00000
Tc4 Tc 0.38054 0.38054 0.38054 1.00000
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