TbCrB14
Alexandria ALEXAlex-ID: agm005755684 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
TbB12 CrB4 TbB4
2023-07-18 13:57:03.162074
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755684).
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 agm005755684
data_agm005755684
_cell_length_a 5.85334
_cell_length_b 7.35620
_cell_length_c 7.35620
_cell_angle_alpha 67.86171
_cell_angle_beta 66.55612
_cell_angle_gamma 66.55612
_cell_volume 257.46531
_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 0.37790 0.12210 1.00000
Tb2 Tb 0.75000 0.62210 0.87790 1.00000
Cr1 Cr 0.50000 0.00000 0.50000 1.00000
Cr2 Cr 0.00000 0.00000 0.50000 1.00000
B1 B 0.66712 0.36398 0.30178 1.00000
B2 B 0.33288 0.63602 0.69822 1.00000
B3 B 0.16712 0.80178 0.86398 1.00000
B4 B 0.83288 0.19822 0.13602 1.00000
B5 B 0.12847 0.24065 0.50242 1.00000
B6 B 0.87153 0.75935 0.49758 1.00000
B7 B 0.62847 0.00242 0.74065 1.00000
B8 B 0.37153 0.99758 0.25935 1.00000
B9 B 0.08376 0.08677 0.74571 1.00000
B10 B 0.91624 0.91323 0.25429 1.00000
B11 B 0.58376 0.24571 0.58677 1.00000
B12 B 0.41624 0.75429 0.41323 1.00000
B13 B 0.72305 0.59833 0.27572 1.00000
B14 B 0.59710 0.40167 0.72428 1.00000
B15 B 0.22305 0.77572 0.09833 1.00000
B16 B 0.09710 0.22428 0.90167 1.00000
B17 B 0.27695 0.40167 0.72428 1.00000
B18 B 0.40290 0.59833 0.27572 1.00000
B19 B 0.77695 0.22428 0.90167 1.00000
B20 B 0.90290 0.77572 0.09833 1.00000
B21 B 0.32647 0.96995 0.87351 1.00000
B22 B 0.16993 0.03005 0.12649 1.00000
B23 B 0.82647 0.37351 0.46995 1.00000
B24 B 0.66993 0.62649 0.53005 1.00000
B25 B 0.67353 0.03005 0.12649 1.00000
B26 B 0.83007 0.96995 0.87351 1.00000
B27 B 0.17353 0.62649 0.53005 1.00000
B28 B 0.33007 0.37351 0.46995 1.00000
