ErH6C
Alexandria ALEXAlex-ID: agm079955833 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_285_spg10
ErH3 H4C C
2025-06-25 21:56:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079955833).
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 agm079955833
data_agm079955833
_cell_length_a 3.87069
_cell_length_b 5.10456
_cell_length_c 5.98074
_cell_angle_alpha 134.03540
_cell_angle_beta 85.94069
_cell_angle_gamma 90.71316
_cell_volume 84.62800
_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
Er1 Er 0.30797 0.00648 0.58065 1.00000
H1 H 0.46254 0.33996 0.41133 1.00000
H2 H 0.82717 0.94831 0.42088 1.00000
H3 H 0.03511 0.40624 0.04557 1.00000
H4 H 0.42683 0.67258 0.83891 1.00000
H5 H 0.84935 0.29816 0.94503 1.00000
H6 H 0.03405 0.50614 0.62810 1.00000
C1 C 0.30697 0.57212 0.62953 1.00000
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