Tc3P
Alexandria ALEXAlex-ID: agm005492682 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_974_spg139
Tc3P
2023-03-20 10:30:59.789842
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005492682).
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 agm005492682
data_agm005492682
_cell_length_a 8.82984
_cell_length_b 8.82984
_cell_length_c 8.82984
_cell_angle_alpha 156.19991
_cell_angle_beta 156.19991
_cell_angle_gamma 33.90967
_cell_volume 112.00003
_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
Tc1 Tc 0.00000 0.50000 0.50000 1.00000
Tc2 Tc 0.50000 0.00000 0.50000 1.00000
Tc3 Tc 0.75000 0.25000 0.50000 1.00000
Tc4 Tc 0.25000 0.75000 0.50000 1.00000
Tc5 Tc 0.86954 0.86954 0.00000 1.00000
Tc6 Tc 0.13046 0.13046 0.00000 1.00000
P1 P 0.61442 0.61442 0.00000 1.00000
P2 P 0.38558 0.38558 0.00000 1.00000
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