PmVB14
Alexandria ALEXAlex-ID: agm005755362 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
PmB6 VB2 B
2023-07-18 14:15:04.272403
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755362).
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 agm005755362
data_agm005755362
_cell_length_a 5.84002
_cell_length_b 7.39877
_cell_length_c 7.39877
_cell_angle_alpha 67.69712
_cell_angle_beta 66.75516
_cell_angle_gamma 66.75515
_cell_volume 260.24752
_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
Pm1 Pm 0.25000 0.38174 0.11826 1.00000
Pm2 Pm 0.75000 0.61826 0.88174 1.00000
V1 V 0.50000 0.00000 0.50000 1.00000
V2 V 0.00000 0.00000 0.50000 1.00000
B1 B 0.66738 0.36218 0.30307 1.00000
B2 B 0.33262 0.63782 0.69693 1.00000
B3 B 0.16738 0.80307 0.86218 1.00000
B4 B 0.83262 0.19693 0.13782 1.00000
B5 B 0.12709 0.24094 0.50488 1.00000
B6 B 0.87291 0.75906 0.49512 1.00000
B7 B 0.62709 0.00488 0.74094 1.00000
B8 B 0.37291 0.99512 0.25906 1.00000
B9 B 0.08414 0.08426 0.74746 1.00000
B10 B 0.91586 0.91574 0.25254 1.00000
B11 B 0.58414 0.24746 0.58426 1.00000
B12 B 0.41586 0.75254 0.41574 1.00000
B13 B 0.72253 0.59913 0.27696 1.00000
B14 B 0.59862 0.40087 0.72304 1.00000
B15 B 0.22253 0.77696 0.09913 1.00000
B16 B 0.09862 0.22304 0.90087 1.00000
B17 B 0.27747 0.40087 0.72304 1.00000
B18 B 0.40138 0.59913 0.27696 1.00000
B19 B 0.77747 0.22304 0.90087 1.00000
B20 B 0.90138 0.77696 0.09913 1.00000
B21 B 0.32657 0.97118 0.87270 1.00000
B22 B 0.17044 0.02882 0.12730 1.00000
B23 B 0.82657 0.37270 0.47118 1.00000
B24 B 0.67044 0.62730 0.52882 1.00000
B25 B 0.67343 0.02882 0.12730 1.00000
B26 B 0.82956 0.97118 0.87270 1.00000
B27 B 0.17343 0.62730 0.52882 1.00000
B28 B 0.32956 0.37270 0.47118 1.00000
