B2C
Alexandria ALEXAlex-ID: agm006149306 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_3626_spg1
B4C C
2023-08-18 15:36:33.462818
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006149306).
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 agm006149306
data_agm006149306
_cell_length_a 6.56313
_cell_length_b 6.53981
_cell_length_c 3.95567
_cell_angle_alpha 106.08641
_cell_angle_beta 81.79962
_cell_angle_gamma 143.41419
_cell_volume 96.28340
_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
B1 B 0.22554 0.62329 0.55353 1.00000
B2 B 0.09682 0.71233 0.93434 1.00000
B3 B 0.45399 0.03237 0.52603 1.00000
B4 B 0.39687 0.34075 0.17757 1.00000
B5 B 0.06317 0.23517 0.42954 1.00000
B6 B 0.86564 0.28336 0.72713 1.00000
B7 B 0.66096 0.33127 0.96252 1.00000
B8 B 0.78958 0.67564 0.98144 1.00000
C1 C 0.39378 0.08431 0.21956 1.00000
C2 C 0.48383 0.63313 0.50906 1.00000
C3 C 0.99058 0.04096 0.00720 1.00000
C4 C 0.82923 0.00741 0.72208 1.00000
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