Sc(V2B)4
Alexandria ALEXAlex-ID: agm097646964 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_785_spg1
V3B2 Sc V
2025-06-02 10:30:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097646964).
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 agm097646964
data_agm097646964
_cell_length_a 3.09804
_cell_length_b 7.57448
_cell_length_c 7.85926
_cell_angle_alpha 54.28965
_cell_angle_beta 90.00235
_cell_angle_gamma 90.00283
_cell_volume 149.74964
_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
Sc1 Sc 0.26912 0.85042 0.04686 1.00000
V1 V 0.26929 0.18394 0.36461 1.00000
V2 V 0.26933 0.60399 0.93665 1.00000
V3 V 0.76923 0.52879 0.70353 1.00000
V4 V 0.26919 0.27630 0.64123 1.00000
V5 V 0.76923 0.93510 0.29658 1.00000
V6 V 0.76923 0.49453 0.33755 1.00000
V7 V 0.26923 0.23661 0.00542 1.00000
V8 V 0.76927 0.93813 0.66480 1.00000
B1 B 0.76919 0.15078 0.87470 1.00000
B2 B 0.76926 0.34997 0.12604 1.00000
B3 B 0.26920 0.64987 0.44298 1.00000
B4 B 0.26923 0.80158 0.55905 1.00000
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