LaCrB14
Alexandria ALEXAlex-ID: agm005755491 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
CrB4 LaB6 B
2023-07-18 13:56:39.857017
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755491).
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 agm005755491
data_agm005755491
_cell_length_a 5.86721
_cell_length_b 7.45615
_cell_length_c 7.45615
_cell_angle_alpha 67.95012
_cell_angle_beta 66.83082
_cell_angle_gamma 66.83083
_cell_volume 266.13199
_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
La1 La 0.25000 0.37773 0.12227 1.00000
La2 La 0.75000 0.62227 0.87773 1.00000
Cr1 Cr 0.50000 0.00000 0.50000 1.00000
Cr2 Cr 0.00000 0.00000 0.50000 1.00000
B1 B 0.66586 0.36439 0.30389 1.00000
B2 B 0.33414 0.63561 0.69611 1.00000
B3 B 0.16586 0.80389 0.86439 1.00000
B4 B 0.83414 0.19611 0.13561 1.00000
B5 B 0.12618 0.23876 0.50887 1.00000
B6 B 0.87382 0.76124 0.49113 1.00000
B7 B 0.62618 0.00887 0.73876 1.00000
B8 B 0.37382 0.99113 0.26124 1.00000
B9 B 0.08271 0.08572 0.74887 1.00000
B10 B 0.91729 0.91428 0.25113 1.00000
B11 B 0.58271 0.24887 0.58572 1.00000
B12 B 0.41729 0.75113 0.41428 1.00000
B13 B 0.72024 0.59967 0.28070 1.00000
B14 B 0.60062 0.40033 0.71930 1.00000
B15 B 0.22024 0.78070 0.09967 1.00000
B16 B 0.10062 0.21930 0.90033 1.00000
B17 B 0.27976 0.40033 0.71930 1.00000
B18 B 0.39938 0.59967 0.28070 1.00000
B19 B 0.77976 0.21930 0.90033 1.00000
B20 B 0.89938 0.78070 0.09967 1.00000
B21 B 0.32543 0.97253 0.87408 1.00000
B22 B 0.17203 0.02747 0.12592 1.00000
B23 B 0.82543 0.37408 0.47253 1.00000
B24 B 0.67203 0.62592 0.52747 1.00000
B25 B 0.67457 0.02747 0.12592 1.00000
B26 B 0.82797 0.97253 0.87408 1.00000
B27 B 0.17457 0.62592 0.52747 1.00000
B28 B 0.32797 0.37408 0.47253 1.00000
