MgCrB14
Alexandria ALEXAlex-ID: agm005754609 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
MgB7 CrB4 B
2023-07-18 13:59:41.785552
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754609).
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 agm005754609
data_agm005754609
_cell_length_a 5.89333
_cell_length_b 7.17689
_cell_length_c 7.17690
_cell_angle_alpha 68.86214
_cell_angle_beta 65.75894
_cell_angle_gamma 65.75894
_cell_volume 245.55722
_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
Mg1 Mg 0.25000 0.40844 0.09156 1.00000
Mg2 Mg 0.75000 0.59156 0.90844 1.00000
Cr1 Cr 0.50000 0.00000 0.50000 1.00000
Cr2 Cr 0.00000 0.00000 0.50000 1.00000
B1 B 0.66709 0.36594 0.29988 1.00000
B2 B 0.33291 0.63406 0.70012 1.00000
B3 B 0.16709 0.79988 0.86594 1.00000
B4 B 0.83291 0.20012 0.13406 1.00000
B5 B 0.15132 0.24013 0.45722 1.00000
B6 B 0.84868 0.75987 0.54278 1.00000
B7 B 0.65132 0.95722 0.74013 1.00000
B8 B 0.34868 0.04278 0.25987 1.00000
B9 B 0.08954 0.08472 0.73620 1.00000
B10 B 0.91046 0.91528 0.26380 1.00000
B11 B 0.58954 0.23620 0.58472 1.00000
B12 B 0.41046 0.76380 0.41528 1.00000
B13 B 0.71989 0.60268 0.27322 1.00000
B14 B 0.59579 0.39732 0.72678 1.00000
B15 B 0.21989 0.77322 0.10268 1.00000
B16 B 0.09579 0.22678 0.89732 1.00000
B17 B 0.28011 0.39732 0.72678 1.00000
B18 B 0.40421 0.60268 0.27322 1.00000
B19 B 0.78011 0.22678 0.89732 1.00000
B20 B 0.90421 0.77322 0.10268 1.00000
B21 B 0.32829 0.96391 0.87214 1.00000
B22 B 0.16434 0.03609 0.12786 1.00000
B23 B 0.82829 0.37214 0.46391 1.00000
B24 B 0.66434 0.62786 0.53609 1.00000
B25 B 0.67171 0.03609 0.12786 1.00000
B26 B 0.83566 0.96391 0.87214 1.00000
B27 B 0.17171 0.62786 0.53609 1.00000
B28 B 0.33566 0.37214 0.46391 1.00000
