VCrP2(HO5)2
Alexandria ALEXAlex-ID: agm005283438 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2E10_29_spg2
CrPH2O5 VPO5
2023-05-07 05:48:56.455278
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005283438).
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 agm005283438
data_agm005283438
_cell_length_a 5.03321
_cell_length_b 5.77085
_cell_length_c 7.29281
_cell_angle_alpha 73.12578
_cell_angle_beta 106.67380
_cell_angle_gamma 102.85207
_cell_volume 191.93271
_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 0.00000 0.00000 0.50000 1.00000
Cr1 Cr 0.00000 0.00000 0.00000 1.00000
P1 P 0.50696 0.67246 0.73039 1.00000
P2 P 0.49304 0.32754 0.26961 1.00000
H1 H 0.36502 0.78512 0.34784 1.00000
H2 H 0.63498 0.21488 0.65216 1.00000
O1 O 0.78149 0.25208 0.30186 1.00000
O2 O 0.62118 0.78415 0.53780 1.00000
O3 O 0.28613 0.26565 0.08407 1.00000
O4 O 0.81191 0.25137 0.76125 1.00000
O5 O 0.04273 0.15834 0.72676 1.00000
O6 O 0.95727 0.84166 0.27324 1.00000
O7 O 0.18809 0.74863 0.23875 1.00000
O8 O 0.71387 0.73435 0.91593 1.00000
O9 O 0.37882 0.21585 0.46220 1.00000
O10 O 0.21851 0.74792 0.69814 1.00000
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