SrLaB
Alexandria ALEXAlex-ID: agm003040407 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_999_spg8
LaB4 Sr La
2015-04-24 11:18:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003040407).
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
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# CIF generated by HEAS from Alexandria entry agm003040407
data_agm003040407
_cell_length_a 7.60267
_cell_length_b 7.55283
_cell_length_c 3.35081
_cell_angle_alpha 90.01436
_cell_angle_beta 102.78765
_cell_angle_gamma 105.02148
_cell_volume 180.88575
_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 0.42057 0.41521 0.72101 1.00000
Sr2 Sr 0.90582 0.30282 0.46245 1.00000
B1 B 0.15248 0.07270 0.58625 1.00000
B2 B 0.15573 0.13379 0.08790 1.00000
La1 La 0.89589 0.81296 0.95723 1.00000
La2 La 0.38026 0.90709 0.20058 1.00000
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