ErZnH4
Alexandria ALEXAlex-ID: agm007365593 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_206_spg11
ZnH2 ErH3 Zn
2025-05-27 17:10:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007365593).
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 agm007365593
data_agm007365593
_cell_length_a 5.96698
_cell_length_b 5.96698
_cell_length_c 5.43279
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 145.18708
_cell_volume 110.43106
_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 0.35390 0.64610 0.79139 1.00000
Er2 Er 0.64610 0.35390 0.29139 1.00000
Zn1 Zn 0.09597 0.90403 0.78780 1.00000
Zn2 Zn 0.90403 0.09597 0.28780 1.00000
H1 H 0.18709 0.81291 0.04455 1.00000
H2 H 0.81291 0.18709 0.54455 1.00000
H3 H 0.18979 0.81021 0.53457 1.00000
H4 H 0.81021 0.18979 0.03457 1.00000
H5 H 0.49650 0.50350 0.04976 1.00000
H6 H 0.50350 0.49650 0.54976 1.00000
H7 H 0.95362 0.04638 0.79612 1.00000
H8 H 0.04638 0.95362 0.29612 1.00000
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