B8P
Alexandria ALEXAlex-ID: agm005228634 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB8_44_spg8
B6P B
2023-05-10 22:27:35.427494
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005228634).
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 agm005228634
data_agm005228634
_cell_length_a 5.24900
_cell_length_b 5.24900
_cell_length_c 10.17707
_cell_angle_alpha 71.33840
_cell_angle_beta 71.33840
_cell_angle_gamma 68.71702
_cell_volume 240.84990
_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 0.19524 0.72729 0.09630 1.00000
B2 B 0.69160 0.22056 0.58896 1.00000
B3 B 0.45358 0.45358 0.35376 1.00000
B4 B 0.96105 0.96105 0.85943 1.00000
B5 B 0.72729 0.19524 0.09630 1.00000
B6 B 0.22056 0.69160 0.58896 1.00000
B7 B 0.30023 0.76946 0.40423 1.00000
B8 B 0.81244 0.27958 0.91051 1.00000
B9 B 0.04055 0.04055 0.15159 1.00000
B10 B 0.54287 0.54287 0.63891 1.00000
B11 B 0.76946 0.30023 0.40423 1.00000
B12 B 0.27958 0.81244 0.91051 1.00000
B13 B 0.67224 0.98552 0.00754 1.00000
B14 B 0.16412 0.47983 0.50305 1.00000
B15 B 0.82776 0.82776 0.16396 1.00000
B16 B 0.32417 0.32417 0.66340 1.00000
B17 B 0.98552 0.67224 0.00754 1.00000
B18 B 0.47983 0.16412 0.50305 1.00000
B19 B 0.83302 0.51068 0.48815 1.00000
B20 B 0.33458 0.02194 0.00151 1.00000
B21 B 0.67162 0.67162 0.33178 1.00000
B22 B 0.17789 0.17789 0.83957 1.00000
B23 B 0.51068 0.83302 0.48815 1.00000
B24 B 0.02194 0.33458 0.00151 1.00000
P1 P 0.61069 0.61069 0.79748 1.00000
P2 P 0.39031 0.39031 0.19973 1.00000
P3 P 0.89233 0.89233 0.70283 1.00000
