B7C5
Alexandria ALEXAlex-ID: agm006148643 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B7_171_spg1
B4C C
2023-08-18 11:34:34.102284
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006148643).
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 agm006148643
data_agm006148643
_cell_length_a 4.59959
_cell_length_b 4.31347
_cell_length_c 5.60205
_cell_angle_alpha 92.61358
_cell_angle_beta 95.48820
_cell_angle_gamma 44.83830
_cell_volume 77.97150
_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 0.21761 0.70965 0.26087 1.00000
B2 B 0.32712 0.24738 0.13223 1.00000
B3 B 0.59582 0.12961 0.39017 1.00000
B4 B 0.64275 0.67617 0.32551 1.00000
B5 B 0.03476 0.99170 0.52403 1.00000
B6 B 0.28540 0.76710 0.80454 1.00000
B7 B 0.31590 0.39021 0.64411 1.00000
C1 C 0.97873 0.98869 0.00564 1.00000
C2 C 0.92843 0.43928 0.60027 1.00000
C3 C 0.59247 0.09100 0.90665 1.00000
C4 C 0.68646 0.67764 0.83355 1.00000
C5 C 0.89455 0.39158 0.07242 1.00000
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