TbB14Mo
Alexandria ALEXAlex-ID: agm005754531 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
TbB12 B2Mo
2023-07-18 14:04:16.508988
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754531).
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 agm005754531
data_agm005754531
_cell_length_a 5.87606
_cell_length_b 7.43192
_cell_length_c 7.43192
_cell_angle_alpha 66.88119
_cell_angle_beta 66.71370
_cell_angle_gamma 66.71371
_cell_volume 262.86858
_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 0.37465 0.12535 1.00000
Tb2 Tb 0.75000 0.62535 0.87465 1.00000
B1 B 0.66810 0.36218 0.30163 1.00000
B2 B 0.33190 0.63782 0.69837 1.00000
B3 B 0.16810 0.80163 0.86218 1.00000
B4 B 0.83190 0.19837 0.13782 1.00000
B5 B 0.11896 0.25328 0.50879 1.00000
B6 B 0.88104 0.74672 0.49121 1.00000
B7 B 0.61896 0.00879 0.75328 1.00000
B8 B 0.38104 0.99121 0.24672 1.00000
B9 B 0.08029 0.09119 0.74822 1.00000
B10 B 0.91971 0.90881 0.25178 1.00000
B11 B 0.58029 0.24822 0.59119 1.00000
B12 B 0.41971 0.75178 0.40881 1.00000
B13 B 0.72508 0.59691 0.27266 1.00000
B14 B 0.59465 0.40309 0.72734 1.00000
B15 B 0.22508 0.77266 0.09691 1.00000
B16 B 0.09465 0.22734 0.90309 1.00000
B17 B 0.27492 0.40309 0.72734 1.00000
B18 B 0.40535 0.59691 0.27266 1.00000
B19 B 0.77492 0.22734 0.90309 1.00000
B20 B 0.90535 0.77266 0.09691 1.00000
B21 B 0.32331 0.97086 0.87451 1.00000
B22 B 0.16868 0.02914 0.12549 1.00000
B23 B 0.82331 0.37451 0.47086 1.00000
B24 B 0.66868 0.62549 0.52914 1.00000
B25 B 0.67669 0.02914 0.12549 1.00000
B26 B 0.83132 0.97086 0.87451 1.00000
B27 B 0.17669 0.62549 0.52914 1.00000
B28 B 0.33132 0.37451 0.47086 1.00000
Mo1 Mo 0.50000 0.00000 0.50000 1.00000
Mo2 Mo 0.00000 0.00000 0.50000 1.00000
