Ba4Sm4Cr3
Alexandria ALEXAlex-ID: agm008785752 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_55_spg71
Ba Sm Cr
2024-05-29 03:35:05.689722
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008785752).
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 agm008785752
data_agm008785752
_cell_length_a 26.84286
_cell_length_b 26.84286
_cell_length_c 3.88758
_cell_angle_alpha 85.83312
_cell_angle_beta 85.83312
_cell_angle_gamma 8.30508
_cell_volume 403.53413
_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
Ba1 Ba 0.90932 0.90932 0.59196 1.00000
Ba2 Ba 0.71586 0.71586 0.78238 1.00000
Ba3 Ba 0.28414 0.28414 0.21762 1.00000
Ba4 Ba 0.09068 0.09068 0.40804 1.00000
Sm1 Sm 0.46886 0.46886 0.03165 1.00000
Sm2 Sm 0.53114 0.53114 0.96835 1.00000
Sm3 Sm 0.16070 0.16070 0.33789 1.00000
Sm4 Sm 0.83930 0.83930 0.66211 1.00000
Cr1 Cr 0.36684 0.36684 0.13433 1.00000
Cr2 Cr 0.63316 0.63316 0.86567 1.00000
Cr3 Cr 0.00000 0.00000 0.50000 1.00000
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