SrCrB14
Alexandria ALEXAlex-ID: agm005755387 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
CrB4 B SrB6
2023-07-18 13:53:33.364404
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755387).
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 agm005755387
data_agm005755387
_cell_length_a 5.88198
_cell_length_b 7.41926
_cell_length_c 7.41926
_cell_angle_alpha 68.58075
_cell_angle_beta 66.64671
_cell_angle_gamma 66.64672
_cell_volume 264.45533
_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
Sr1 Sr 0.25000 0.38848 0.11152 1.00000
Sr2 Sr 0.75000 0.61152 0.88848 1.00000
Cr1 Cr 0.50000 0.00000 0.50000 1.00000
Cr2 Cr 0.00000 0.00000 0.50000 1.00000
B1 B 0.66540 0.36576 0.30344 1.00000
B2 B 0.33460 0.63424 0.69656 1.00000
B3 B 0.16540 0.80344 0.86576 1.00000
B4 B 0.83460 0.19656 0.13424 1.00000
B5 B 0.13134 0.23666 0.50065 1.00000
B6 B 0.86866 0.76334 0.49935 1.00000
B7 B 0.63134 0.00065 0.73666 1.00000
B8 B 0.36866 0.99935 0.26334 1.00000
B9 B 0.08577 0.08057 0.74790 1.00000
B10 B 0.91423 0.91943 0.25210 1.00000
B11 B 0.58577 0.24790 0.58057 1.00000
B12 B 0.41423 0.75210 0.41943 1.00000
B13 B 0.71761 0.60266 0.28186 1.00000
B14 B 0.60213 0.39734 0.71814 1.00000
B15 B 0.21761 0.78186 0.10266 1.00000
B16 B 0.10213 0.21814 0.89734 1.00000
B17 B 0.28239 0.39734 0.71814 1.00000
B18 B 0.39787 0.60266 0.28186 1.00000
B19 B 0.78239 0.21814 0.89734 1.00000
B20 B 0.89787 0.78186 0.10266 1.00000
B21 B 0.32628 0.97010 0.87459 1.00000
B22 B 0.17097 0.02990 0.12541 1.00000
B23 B 0.82628 0.37459 0.47010 1.00000
B24 B 0.67097 0.62541 0.52990 1.00000
B25 B 0.67372 0.02990 0.12541 1.00000
B26 B 0.82903 0.97010 0.87459 1.00000
B27 B 0.17372 0.62541 0.52990 1.00000
B28 B 0.32903 0.37459 0.47010 1.00000
