YTcB14
Alexandria ALEXAlex-ID: agm005753853 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
YB12 TcB2
2023-07-18 14:11:02.192148
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753853).
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 agm005753853
data_agm005753853
_cell_length_a 5.88651
_cell_length_b 7.39645
_cell_length_c 7.39645
_cell_angle_alpha 67.54952
_cell_angle_beta 66.55129
_cell_angle_gamma 66.55129
_cell_volume 261.30804
_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
Y1 Y 0.25000 0.37588 0.12412 1.00000
Y2 Y 0.75000 0.62412 0.87588 1.00000
Tc1 Tc 0.50000 0.00000 0.50000 1.00000
Tc2 Tc 0.00000 0.00000 0.50000 1.00000
B1 B 0.66722 0.36809 0.29747 1.00000
B2 B 0.33278 0.63191 0.70253 1.00000
B3 B 0.16722 0.79747 0.86809 1.00000
B4 B 0.83278 0.20253 0.13191 1.00000
B5 B 0.12200 0.24831 0.50769 1.00000
B6 B 0.87800 0.75169 0.49231 1.00000
B7 B 0.62200 0.00769 0.74831 1.00000
B8 B 0.37800 0.99231 0.25169 1.00000
B9 B 0.08307 0.08685 0.74701 1.00000
B10 B 0.91693 0.91315 0.25299 1.00000
B11 B 0.58307 0.24701 0.58685 1.00000
B12 B 0.41693 0.75299 0.41315 1.00000
B13 B 0.72476 0.59814 0.27499 1.00000
B14 B 0.59790 0.40186 0.72501 1.00000
B15 B 0.22476 0.77499 0.09814 1.00000
B16 B 0.09790 0.22501 0.90186 1.00000
B17 B 0.27524 0.40186 0.72501 1.00000
B18 B 0.40210 0.59814 0.27499 1.00000
B19 B 0.77524 0.22501 0.90186 1.00000
B20 B 0.90210 0.77499 0.09814 1.00000
B21 B 0.32411 0.96995 0.87338 1.00000
B22 B 0.16744 0.03005 0.12662 1.00000
B23 B 0.82411 0.37338 0.46995 1.00000
B24 B 0.66744 0.62662 0.53005 1.00000
B25 B 0.67589 0.03005 0.12662 1.00000
B26 B 0.83256 0.96995 0.87338 1.00000
B27 B 0.17589 0.62662 0.53005 1.00000
B28 B 0.33256 0.37338 0.46995 1.00000
