PmTcB14
Alexandria ALEXAlex-ID: agm005755199 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
PmB6 TcB2 B
2023-07-18 14:07:04.540822
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755199).
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 agm005755199
data_agm005755199
_cell_length_a 5.88963
_cell_length_b 7.44143
_cell_length_c 7.44143
_cell_angle_alpha 67.62386
_cell_angle_beta 66.68835
_cell_angle_gamma 66.68835
_cell_volume 265.17687
_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
Pm1 Pm 0.25000 0.37595 0.12405 1.00000
Pm2 Pm 0.75000 0.62405 0.87595 1.00000
Tc1 Tc 0.50000 0.00000 0.50000 1.00000
Tc2 Tc 0.00000 0.00000 0.50000 1.00000
B1 B 0.66658 0.36852 0.29832 1.00000
B2 B 0.33342 0.63148 0.70168 1.00000
B3 B 0.16658 0.79832 0.86852 1.00000
B4 B 0.83342 0.20168 0.13148 1.00000
B5 B 0.12107 0.24650 0.51137 1.00000
B6 B 0.87893 0.75350 0.48863 1.00000
B7 B 0.62107 0.01137 0.74650 1.00000
B8 B 0.37893 0.98863 0.25350 1.00000
B9 B 0.08308 0.08537 0.74847 1.00000
B10 B 0.91692 0.91463 0.25153 1.00000
B11 B 0.58308 0.24847 0.58537 1.00000
B12 B 0.41692 0.75153 0.41463 1.00000
B13 B 0.72365 0.59871 0.27749 1.00000
B14 B 0.59985 0.40129 0.72251 1.00000
B15 B 0.22365 0.77749 0.09871 1.00000
B16 B 0.09985 0.22251 0.90129 1.00000
B17 B 0.27635 0.40129 0.72251 1.00000
B18 B 0.40015 0.59871 0.27749 1.00000
B19 B 0.77635 0.22251 0.90129 1.00000
B20 B 0.90015 0.77749 0.09871 1.00000
B21 B 0.32389 0.97151 0.87325 1.00000
B22 B 0.16865 0.02849 0.12675 1.00000
B23 B 0.82389 0.37325 0.47151 1.00000
B24 B 0.66865 0.62675 0.52849 1.00000
B25 B 0.67611 0.02849 0.12675 1.00000
B26 B 0.83135 0.97151 0.87325 1.00000
B27 B 0.17611 0.62675 0.52849 1.00000
B28 B 0.33135 0.37325 0.47151 1.00000
