PmCoB14
Alexandria ALEXAlex-ID: agm005755068 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
PmB6 CoB B
2023-07-18 13:51:35.972199
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755068).
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 agm005755068
data_agm005755068
_cell_length_a 5.83912
_cell_length_b 7.36172
_cell_length_c 7.36172
_cell_angle_alpha 68.97338
_cell_angle_beta 66.63503
_cell_angle_gamma 66.63503
_cell_volume 258.94198
_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
Pm1 Pm 0.25000 0.37900 0.12100 1.00000
Pm2 Pm 0.75000 0.62100 0.87900 1.00000
Co1 Co 0.50000 0.00000 0.50000 1.00000
Co2 Co 0.00000 0.00000 0.50000 1.00000
B1 B 0.66581 0.36947 0.29890 1.00000
B2 B 0.33419 0.63053 0.70110 1.00000
B3 B 0.16581 0.79890 0.86947 1.00000
B4 B 0.83419 0.20110 0.13053 1.00000
B5 B 0.13477 0.23057 0.49989 1.00000
B6 B 0.86523 0.76943 0.50011 1.00000
B7 B 0.63477 0.99989 0.73057 1.00000
B8 B 0.36523 0.00011 0.26943 1.00000
B9 B 0.08878 0.07824 0.74421 1.00000
B10 B 0.91122 0.92176 0.25579 1.00000
B11 B 0.58878 0.24421 0.57824 1.00000
B12 B 0.41122 0.75579 0.42176 1.00000
B13 B 0.71946 0.60226 0.28188 1.00000
B14 B 0.60360 0.39774 0.71812 1.00000
B15 B 0.21946 0.78188 0.10226 1.00000
B16 B 0.10360 0.21812 0.89774 1.00000
B17 B 0.28054 0.39774 0.71812 1.00000
B18 B 0.39640 0.60226 0.28188 1.00000
B19 B 0.78054 0.21812 0.89774 1.00000
B20 B 0.89640 0.78188 0.10226 1.00000
B21 B 0.32811 0.96829 0.87301 1.00000
B22 B 0.16941 0.03171 0.12699 1.00000
B23 B 0.82811 0.37301 0.46829 1.00000
B24 B 0.66941 0.62699 0.53171 1.00000
B25 B 0.67189 0.03171 0.12699 1.00000
B26 B 0.83059 0.96829 0.87301 1.00000
B27 B 0.17189 0.62699 0.53171 1.00000
B28 B 0.33059 0.37301 0.46829 1.00000
