TbMgB14
Alexandria ALEXAlex-ID: agm005754748 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
TbB12 MgB7 TbB4
2023-07-18 13:56:19.308828
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754748).
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 agm005754748
data_agm005754748
_cell_length_a 5.93228
_cell_length_b 7.36883
_cell_length_c 7.36883
_cell_angle_alpha 68.24735
_cell_angle_beta 66.26384
_cell_angle_gamma 66.26385
_cell_volume 261.43393
_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
Tb1 Tb 0.25000 0.39085 0.10915 1.00000
Tb2 Tb 0.75000 0.60915 0.89085 1.00000
Mg1 Mg 0.50000 0.00000 0.50000 1.00000
Mg2 Mg 0.00000 0.00000 0.50000 1.00000
B1 B 0.66667 0.36371 0.30295 1.00000
B2 B 0.33333 0.63629 0.69705 1.00000
B3 B 0.16667 0.80295 0.86371 1.00000
B4 B 0.83333 0.19705 0.13629 1.00000
B5 B 0.13506 0.23980 0.49007 1.00000
B6 B 0.86494 0.76020 0.50993 1.00000
B7 B 0.63506 0.99007 0.73980 1.00000
B8 B 0.36494 0.00993 0.26020 1.00000
B9 B 0.08383 0.08637 0.74598 1.00000
B10 B 0.91617 0.91363 0.25402 1.00000
B11 B 0.58383 0.24598 0.58637 1.00000
B12 B 0.41617 0.75402 0.41363 1.00000
B13 B 0.72057 0.60017 0.27806 1.00000
B14 B 0.59880 0.39983 0.72194 1.00000
B15 B 0.22057 0.77806 0.10017 1.00000
B16 B 0.09880 0.22194 0.89983 1.00000
B17 B 0.27943 0.39983 0.72194 1.00000
B18 B 0.40120 0.60017 0.27806 1.00000
B19 B 0.77943 0.22194 0.89983 1.00000
B20 B 0.90120 0.77806 0.10017 1.00000
B21 B 0.32486 0.96952 0.87672 1.00000
B22 B 0.17110 0.03048 0.12328 1.00000
B23 B 0.82486 0.37672 0.46952 1.00000
B24 B 0.67110 0.62328 0.53048 1.00000
B25 B 0.67514 0.03048 0.12328 1.00000
B26 B 0.82890 0.96952 0.87672 1.00000
B27 B 0.17514 0.62328 0.53048 1.00000
B28 B 0.32890 0.37672 0.46952 1.00000
