TmCrB14
Alexandria ALEXAlex-ID: agm005755574 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
TmB12 CrB4 TmB4
2023-07-18 13:58:10.307402
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755574).
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 agm005755574
data_agm005755574
_cell_length_a 5.84434
_cell_length_b 7.31556
_cell_length_c 7.31556
_cell_angle_alpha 67.85815
_cell_angle_beta 66.45648
_cell_angle_gamma 66.45648
_cell_volume 253.92685
_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
Tm1 Tm 0.25000 0.37862 0.12138 1.00000
Tm2 Tm 0.75000 0.62138 0.87862 1.00000
Cr1 Cr 0.50000 0.00000 0.50000 1.00000
Cr2 Cr 0.00000 0.00000 0.50000 1.00000
B1 B 0.66758 0.36354 0.30130 1.00000
B2 B 0.33242 0.63646 0.69870 1.00000
B3 B 0.16758 0.80130 0.86354 1.00000
B4 B 0.83242 0.19870 0.13646 1.00000
B5 B 0.12975 0.24123 0.49927 1.00000
B6 B 0.87025 0.75877 0.50073 1.00000
B7 B 0.62975 0.99927 0.74123 1.00000
B8 B 0.37025 0.00073 0.25877 1.00000
B9 B 0.08434 0.08720 0.74413 1.00000
B10 B 0.91566 0.91280 0.25587 1.00000
B11 B 0.58434 0.24413 0.58720 1.00000
B12 B 0.41566 0.75587 0.41280 1.00000
B13 B 0.72414 0.59774 0.27377 1.00000
B14 B 0.59565 0.40226 0.72623 1.00000
B15 B 0.22414 0.77377 0.09774 1.00000
B16 B 0.09565 0.22623 0.90226 1.00000
B17 B 0.27586 0.40226 0.72623 1.00000
B18 B 0.40435 0.59774 0.27377 1.00000
B19 B 0.77586 0.22623 0.90226 1.00000
B20 B 0.90435 0.77377 0.09774 1.00000
B21 B 0.32696 0.96913 0.87305 1.00000
B22 B 0.16914 0.03087 0.12695 1.00000
B23 B 0.82696 0.37305 0.46913 1.00000
B24 B 0.66914 0.62695 0.53087 1.00000
B25 B 0.67304 0.03087 0.12695 1.00000
B26 B 0.83086 0.96913 0.87305 1.00000
B27 B 0.17304 0.62695 0.53087 1.00000
B28 B 0.33086 0.37305 0.46913 1.00000
