ErV2H7
Alexandria ALEXAlex-ID: agm006207754 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_771_spg2
ErH3 VH2
2024-02-06 12:21:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006207754).
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 agm006207754
data_agm006207754
_cell_length_a 4.46852
_cell_length_b 3.17543
_cell_length_c 8.48107
_cell_angle_alpha 123.43123
_cell_angle_beta 74.64743
_cell_angle_gamma 134.70055
_cell_volume 69.83988
_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
H1 H 0.02261 0.96170 0.39708 1.00000
H2 H 0.81731 0.74964 0.59640 1.00000
H3 H 0.40695 0.41581 0.78495 1.00000
H4 H 0.13517 0.29624 0.20874 1.00000
H5 H 0.29019 0.85578 0.49683 1.00000
H6 H 0.59497 0.25720 0.20787 1.00000
H7 H 0.90409 0.45300 0.78556 1.00000
V1 V 0.33360 0.60533 0.63375 1.00000
V2 V 0.72162 0.10670 0.35999 1.00000
Er1 Er 0.00588 0.35599 0.99701 1.00000
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