VCr14W
Alexandria ALEXAlex-ID: agm005777346 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_4_spg38
VCr5 VW7 Cr
2023-07-19 05:14:38.444437
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005777346).
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 agm005777346
data_agm005777346
_cell_length_a 5.00532
_cell_length_b 5.00532
_cell_length_c 8.20012
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 109.27498
_cell_volume 193.92376
_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
V1 V 0.12498 0.87502 0.50000 1.00000
Cr1 Cr 0.12503 0.87497 0.00000 1.00000
Cr2 Cr 0.62501 0.37499 0.00000 1.00000
Cr3 Cr 0.12501 0.37502 0.50000 1.00000
Cr4 Cr 0.12501 0.37498 0.00000 1.00000
Cr5 Cr 0.62498 0.87499 0.50000 1.00000
Cr6 Cr 0.62502 0.87499 0.00000 1.00000
Cr7 Cr 0.37262 0.12263 0.75709 1.00000
Cr8 Cr 0.37262 0.12263 0.24291 1.00000
Cr9 Cr 0.87737 0.62738 0.75709 1.00000
Cr10 Cr 0.87737 0.62738 0.24291 1.00000
Cr11 Cr 0.37377 0.62623 0.75405 1.00000
Cr12 Cr 0.37377 0.62623 0.24595 1.00000
Cr13 Cr 0.87621 0.12379 0.75405 1.00000
Cr14 Cr 0.87621 0.12379 0.24595 1.00000
W1 W 0.62500 0.37500 0.50000 1.00000
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