Li4Er5Hf2V6O26
Alexandria ALEXAlex-ID: agm010635907 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5D6E26_0_spg65
Er4Hf3O12 ErVO3 Li3VO4 ErVO4 V2O3
2024-07-03 03:31:52.674228
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010635907).
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 agm010635907
data_agm010635907
_cell_length_a 5.40465
_cell_length_b 5.41378
_cell_length_c 17.18248
_cell_angle_alpha 98.36313
_cell_angle_beta 90.38380
_cell_angle_gamma 89.62559
_cell_volume 497.38684
_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
Li1 Li 0.26714 0.48716 0.48334 1.00000
Li2 Li 0.25996 0.99330 0.50449 1.00000
Li3 Li 0.73988 0.49061 0.49357 1.00000
Li4 Li 0.74383 0.00081 0.51593 1.00000
Er1 Er 0.93985 0.50767 0.99506 1.00000
Er2 Er 0.98163 0.38010 0.77252 1.00000
Er3 Er 0.01810 0.62005 0.22035 1.00000
Er4 Er 0.47424 0.12098 0.22366 1.00000
Er5 Er 0.51147 0.87404 0.76849 1.00000
Hf1 Hf 0.50357 0.31698 0.64989 1.00000
Hf2 Hf 0.51659 0.68727 0.34751 1.00000
V1 V 0.97524 0.07091 0.10916 1.00000
V2 V 0.01430 0.18503 0.34583 1.00000
V3 V 0.99842 0.95579 0.89199 1.00000
V4 V 0.49221 0.43969 0.88892 1.00000
V5 V 0.01374 0.80704 0.64711 1.00000
V6 V 0.47468 0.56837 0.10726 1.00000
O1 O 0.04372 0.20849 0.22127 1.00000
O2 O 0.98126 0.17126 0.44543 1.00000
O3 O 0.17543 0.28009 0.90144 1.00000
O4 O 0.29245 0.02281 0.66869 1.00000
O5 O 0.16059 0.37845 0.09293 1.00000
O6 O 0.01783 0.91365 0.99992 1.00000
O7 O 0.23049 0.57249 0.69523 1.00000
O8 O 0.95436 0.97615 0.78678 1.00000
O9 O 0.51829 0.57437 0.00493 1.00000
O10 O 0.70871 0.19470 0.91698 1.00000
O11 O 0.81256 0.10418 0.65068 1.00000
O12 O 0.29668 0.71960 0.86227 1.00000
O13 O 0.01233 0.71796 0.54472 1.00000
O14 O 0.48489 0.28408 0.53535 1.00000
O15 O 0.30677 0.35982 0.35096 1.00000
O16 O 0.53448 0.29319 0.78103 1.00000
O17 O 0.22250 0.89022 0.31217 1.00000
O18 O 0.74374 0.61365 0.68852 1.00000
O19 O 0.79890 0.64110 0.87143 1.00000
O20 O 0.26667 0.85763 0.13766 1.00000
O21 O 0.69091 0.24804 0.10717 1.00000
O22 O 0.51022 0.75411 0.46141 1.00000
O23 O 0.82711 0.46260 0.33706 1.00000
O24 O 0.46351 0.52977 0.22094 1.00000
O25 O 0.77929 0.77467 0.13354 1.00000
O26 O 0.74147 0.95112 0.30640 1.00000
