ErH7C2
Alexandria ALEXAlex-ID: agm006201573 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_1378_spg1
ErH3 H4C C
2024-02-01 10:33:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201573).
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
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# CIF generated by HEAS from Alexandria entry agm006201573
data_agm006201573
_cell_length_a 11.10560
_cell_length_b 11.25197
_cell_length_c 10.34178
_cell_angle_alpha 161.78098
_cell_angle_beta 18.46032
_cell_angle_gamma 161.81499
_cell_volume 111.12238
_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 0.89858 0.83818 0.20734 1.00000
H2 H 0.99538 0.87247 0.79639 1.00000
H3 H 0.44847 0.50052 0.97189 1.00000
H4 H 0.18736 0.41491 0.48778 1.00000
H5 H 0.39669 0.09031 0.86954 1.00000
H6 H 0.40978 0.16305 0.10278 1.00000
H7 H 0.82305 0.32764 0.42472 1.00000
C1 C 0.22277 0.12646 0.16691 1.00000
C2 C 0.75628 0.55252 0.66686 1.00000
Er1 Er 0.09401 0.17134 0.77396 1.00000
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